N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-(2-propan-2-ylimidazol-1-yl)propanamide

C19H29N5O — CID 50953300

IUPACN-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-(2-propan-2-ylimidazol-1-yl)propanamide
SMILESCC(C)c1nccn1C(C)C(=O)N(C)Cc1n[nH]c2c1CCCCC2
InChIInChI=1S/C19H29N5O/c1-13(2)18-20-10-11-24(18)14(3)19(25)23(4)12-17-15-8-6-5-7-9-16(15)21-22-17/h10-11,13-14H,5-9,12H2,1-4H3,(H,21,22)
InChIKeyMHKORKBSZWJDBF-UHFFFAOYSA-N
MW343.48 g/mol
LogP3.22
Rot. Bonds5

About N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-(2-propan-2-ylimidazol-1-yl)propanamide

N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-(2-propan-2-ylimidazol-1-yl)propanamide (PubChem CID 50953300) has the molecular formula C19H29N5O and a molecular weight of 343.48 g/mol. Its IUPAC name is N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-(2-propan-2-ylimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-(2-propan-2-ylimidazol-1-yl)propanamide
PubChem CID50953300
Molecular FormulaC19H29N5O
Molecular Weight343.48 g/mol
Exact Mass343.24
IUPAC NameN-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-(2-propan-2-ylimidazol-1-yl)propanamide
SMILESCC(C)c1nccn1C(C)C(=O)N(C)Cc1n[nH]c2c1CCCCC2
InChIInChI=1S/C19H29N5O/c1-13(2)18-20-10-11-24(18)14(3)19(25)23(4)12-17-15-8-6-5-7-9-16(15)21-22-17/h10-11,13-14H,5-9,12H2,1-4H3,(H,21,22)
InChIKeyMHKORKBSZWJDBF-UHFFFAOYSA-N
XLogP3.22
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-(2-propan-2-ylimidazol-1-yl)propanamide with MolForge

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Related Compounds

2-(4-chloropyrazol-1-yl)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methylpropanamide
CID 50959443
(2R)-N-(2-amino-2-oxoethyl)-N-methyl-2-(2-propan-2-ylimidazol-1-yl)propanamide
CID 97275416
1-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1-methyl-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea
CID 131906751
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-1-azabicyclo[2.2.2]octane-2-carboxamide
CID 139598776
(2S)-1-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-(2-propan-2-ylimidazol-1-yl)propan-1-one
CID 97271300
3-[(1S)-1-(4-fluorophenyl)ethyl]-1-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1-methylurea
CID 126439991
(2R)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 125445973
2-(2-chlorophenyl)-2-hydroxy-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide
CID 91760765
N-methyl-2-(1-methylpyrrol-2-yl)-2-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)acetamide
CID 77079827
(2R)-N-methyl-2-(2-propan-2-ylimidazol-1-yl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]propanamide
CID 97204137
4-(azepan-1-ylmethyl)-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)benzamide
CID 135090165
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

Frequently Asked Questions

What is the IUPAC name of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-(2-propan-2-ylimidazol-1-yl)propanamide?
The IUPAC name of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-(2-propan-2-ylimidazol-1-yl)propanamide (CID 50953300) is N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-(2-propan-2-ylimidazol-1-yl)propanamide.
What is the SMILES notation for N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-(2-propan-2-ylimidazol-1-yl)propanamide?
The canonical SMILES for N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-(2-propan-2-ylimidazol-1-yl)propanamide is CC(C)c1nccn1C(C)C(=O)N(C)Cc1n[nH]c2c1CCCCC2.
What is the InChIKey of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-(2-propan-2-ylimidazol-1-yl)propanamide?
The InChIKey is MHKORKBSZWJDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O/c1-13(2)18-20-10-11-24(18)14(3)19(25)23(4)12-17-15-8-6-5-7-9-16(15)21-22-17/h10-11,13-14H,5-9,12H2,1-4H3,(H,21,22).
What are the key properties of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-(2-propan-2-ylimidazol-1-yl)propanamide?
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-(2-propan-2-ylimidazol-1-yl)propanamide has a molecular weight of 343.48 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-(2-propan-2-ylimidazol-1-yl)propanamide is sourced from PubChem (CID 50953300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).