N-(cyclohexen-1-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

C14H19N3O — CID 119061793

IUPACN-(cyclohexen-1-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESO=C(NCC1=CCCCC1)c1n[nH]c2c1CCC2
InChIInChI=1S/C14H19N3O/c18-14(15-9-10-5-2-1-3-6-10)13-11-7-4-8-12(11)16-17-13/h5H,1-4,6-9H2,(H,15,18)(H,16,17)
InChIKeyPOQCRLWWMQBHJJ-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.13
Rot. Bonds3

About N-(cyclohexen-1-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

N-(cyclohexen-1-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (PubChem CID 119061793) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-(cyclohexen-1-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(cyclohexen-1-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
PubChem CID119061793
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-(cyclohexen-1-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESO=C(NCC1=CCCCC1)c1n[nH]c2c1CCC2
InChIInChI=1S/C14H19N3O/c18-14(15-9-10-5-2-1-3-6-10)13-11-7-4-8-12(11)16-17-13/h5H,1-4,6-9H2,(H,15,18)(H,16,17)
InChIKeyPOQCRLWWMQBHJJ-UHFFFAOYSA-N
XLogP2.13
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxamide
CID 44229278
N-cyclohexyl-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide
CID 25161455
N-[2-(1-Cyclohexenyl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 20887974
N'-(2,2,6,6-tetramethyl-4-piperidinylidene)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carbohydrazide
CID 820024
1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxamide
CID 45121258
N-[2-(1-cyclohexen-1-yl)ethyl]-3-propyl-1H-pyrazole-5-carboxamide
CID 37201814
N-(cyclopropylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 42873445
5-(2-methylpropyl)-N-propan-2-yl-1H-pyrazole-3-carboxamide
CID 53504724
N-cyclopentyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 56832112
N-Methyl-3-(piperidin-3-yl)-1H-pyrazole-5-carboxamide
CID 66509253
N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 71847289
2,5-Dihydropyrrol-1-yl-[5-(3-methylbutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone
CID 97388940

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexen-1-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-(cyclohexen-1-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (CID 119061793) is N-(cyclohexen-1-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-(cyclohexen-1-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-(cyclohexen-1-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is O=C(NCC1=CCCCC1)c1n[nH]c2c1CCC2.
What is the InChIKey of N-(cyclohexen-1-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is POQCRLWWMQBHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c18-14(15-9-10-5-2-1-3-6-10)13-11-7-4-8-12(11)16-17-13/h5H,1-4,6-9H2,(H,15,18)(H,16,17).
What are the key properties of N-(cyclohexen-1-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
N-(cyclohexen-1-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 245.33 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexen-1-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 119061793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).