5-amino-N-(2-hydroxycycloheptyl)-1H-pyrazole-4-carboxamide

C11H18N4O2 — CID 113394881

IUPAC5-amino-N-(2-hydroxycycloheptyl)-1H-pyrazole-4-carboxamide
SMILESNc1[nH]ncc1C(=O)NC1CCCCCC1O
InChIInChI=1S/C11H18N4O2/c12-10-7(6-13-15-10)11(17)14-8-4-2-1-3-5-9(8)16/h6,8-9,16H,1-5H2,(H,14,17)(H3,12,13,15)
InChIKeyKVJLSMQRPPZBDT-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.42
Rot. Bonds2

About 5-amino-N-(2-hydroxycycloheptyl)-1H-pyrazole-4-carboxamide

5-amino-N-(2-hydroxycycloheptyl)-1H-pyrazole-4-carboxamide (PubChem CID 113394881) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-amino-N-(2-hydroxycycloheptyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2-hydroxycycloheptyl)-1H-pyrazole-4-carboxamide
PubChem CID113394881
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name5-amino-N-(2-hydroxycycloheptyl)-1H-pyrazole-4-carboxamide
SMILESNc1[nH]ncc1C(=O)NC1CCCCCC1O
InChIInChI=1S/C11H18N4O2/c12-10-7(6-13-15-10)11(17)14-8-4-2-1-3-5-9(8)16/h6,8-9,16H,1-5H2,(H,14,17)(H3,12,13,15)
InChIKeyKVJLSMQRPPZBDT-UHFFFAOYSA-N
XLogP0.42
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 104957396
5-(4-chlorophenyl)-N-[(1S,2R)-2-hydroxycyclohexyl]-1H-pyrazole-4-carboxamide
CID 155953824
3-amino-N-(2-hydroxycycloheptyl)-1H-1,2,4-triazole-5-carboxamide
CID 113394753
(5-amino-1H-pyrazol-4-yl)-cycloheptylmethanone
CID 82932269
5-amino-N-(2-cyclohexylethyl)-1H-pyrazole-4-carboxamide
CID 54932334
5-amino-N-(oxan-3-yl)-1H-pyrazole-4-carboxamide
CID 63361518
3-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-1H-1,2,4-triazole-5-carboxamide
CID 94600004
5-amino-N-(2-cyclopentylethyl)-1H-pyrazole-4-carboxamide
CID 60920304
5-amino-2-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]pyridine-4-carboxamide
CID 114089621
2-amino-5-bromo-N-(2-hydroxycyclohexyl)pyridine-3-carboxamide
CID 62359305
N-[(1R,2R)-2-hydroxycyclohexyl]-2H-triazole-4-carboxamide
CID 104927988
cyclohexyl 2-[(5-amino-1H-pyrazole-4-carbonyl)amino]propanoate
CID 23401122

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-hydroxycycloheptyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-(2-hydroxycycloheptyl)-1H-pyrazole-4-carboxamide (CID 113394881) is 5-amino-N-(2-hydroxycycloheptyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(2-hydroxycycloheptyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(2-hydroxycycloheptyl)-1H-pyrazole-4-carboxamide is Nc1[nH]ncc1C(=O)NC1CCCCCC1O.
What is the InChIKey of 5-amino-N-(2-hydroxycycloheptyl)-1H-pyrazole-4-carboxamide?
The InChIKey is KVJLSMQRPPZBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c12-10-7(6-13-15-10)11(17)14-8-4-2-1-3-5-9(8)16/h6,8-9,16H,1-5H2,(H,14,17)(H3,12,13,15).
What are the key properties of 5-amino-N-(2-hydroxycycloheptyl)-1H-pyrazole-4-carboxamide?
5-amino-N-(2-hydroxycycloheptyl)-1H-pyrazole-4-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 0.42, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-hydroxycycloheptyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 113394881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).