(2R)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2,5-dihydro-1H-pyrrole-2-carboxamide

C15H22N4O — CID 125445973

IUPAC(2R)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2,5-dihydro-1H-pyrrole-2-carboxamide
SMILESCN(Cc1n[nH]c2c1CCCCC2)C(=O)[C@H]1C=CCN1
InChIInChI=1S/C15H22N4O/c1-19(15(20)13-8-5-9-16-13)10-14-11-6-3-2-4-7-12(11)17-18-14/h5,8,13,16H,2-4,6-7,9-10H2,1H3,(H,17,18)/t13-/m1/s1
InChIKeyDQHAHERATSWMHN-CYBMUJFWSA-N
MW274.37 g/mol
LogP1.16
Rot. Bonds3

About (2R)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2,5-dihydro-1H-pyrrole-2-carboxamide

(2R)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2,5-dihydro-1H-pyrrole-2-carboxamide (PubChem CID 125445973) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is (2R)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2,5-dihydro-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2,5-dihydro-1H-pyrrole-2-carboxamide
PubChem CID125445973
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name(2R)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2,5-dihydro-1H-pyrrole-2-carboxamide
SMILESCN(Cc1n[nH]c2c1CCCCC2)C(=O)[C@H]1C=CCN1
InChIInChI=1S/C15H22N4O/c1-19(15(20)13-8-5-9-16-13)10-14-11-6-3-2-4-7-12(11)17-18-14/h5,8,13,16H,2-4,6-7,9-10H2,1H3,(H,17,18)/t13-/m1/s1
InChIKeyDQHAHERATSWMHN-CYBMUJFWSA-N
XLogP1.16
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2R)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2,5-dihydro-1H-pyrrole-2-carboxamide with MolForge

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Related Compounds

(1S,3S,4S)-3-amino-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-4-hydroxy-N-methylcyclopentane-1-carboxamide
CID 154818211
(2R)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methylmorpholine-2-carboxamide
CID 95724851
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-1-azabicyclo[2.2.2]octane-2-carboxamide
CID 139598776
(3R)-1-cyclopropyl-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 97123779
N-methyl-6-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperazine-2-carboxamide
CID 56917601
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxamide
CID 154820699
(3R)-1-[2-(dimethylamino)ethyl]-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 97196515
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide
CID 165425789
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 77086051
N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;dihydrochloride
CID 154910556
4-(azepan-1-ylmethyl)-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)benzamide
CID 135090165
4-chloro-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-1H-pyrrole-2-carboxamide
CID 119058792

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2,5-dihydro-1H-pyrrole-2-carboxamide?
The IUPAC name of (2R)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2,5-dihydro-1H-pyrrole-2-carboxamide (CID 125445973) is (2R)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2,5-dihydro-1H-pyrrole-2-carboxamide.
What is the SMILES notation for (2R)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2,5-dihydro-1H-pyrrole-2-carboxamide?
The canonical SMILES for (2R)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2,5-dihydro-1H-pyrrole-2-carboxamide is CN(Cc1n[nH]c2c1CCCCC2)C(=O)[C@H]1C=CCN1.
What is the InChIKey of (2R)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2,5-dihydro-1H-pyrrole-2-carboxamide?
The InChIKey is DQHAHERATSWMHN-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H22N4O/c1-19(15(20)13-8-5-9-16-13)10-14-11-6-3-2-4-7-12(11)17-18-14/h5,8,13,16H,2-4,6-7,9-10H2,1H3,(H,17,18)/t13-/m1/s1.
What are the key properties of (2R)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2,5-dihydro-1H-pyrrole-2-carboxamide?
(2R)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2,5-dihydro-1H-pyrrole-2-carboxamide has a molecular weight of 274.37 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2,5-dihydro-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 125445973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).