N-(4-aminocyclohexyl)-N-propyl-1H-pyrazole-4-carboxamide

C13H22N4O — CID 79111863

IUPACN-(4-aminocyclohexyl)-N-propyl-1H-pyrazole-4-carboxamide
SMILESCCCN(C(=O)c1cn[nH]c1)C1CCC(N)CC1
InChIInChI=1S/C13H22N4O/c1-2-7-17(12-5-3-11(14)4-6-12)13(18)10-8-15-16-9-10/h8-9,11-12H,2-7,14H2,1H3,(H,15,16)
InChIKeyHJSLUZWFXNYELN-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.53
Rot. Bonds4

About N-(4-aminocyclohexyl)-N-propyl-1H-pyrazole-4-carboxamide

N-(4-aminocyclohexyl)-N-propyl-1H-pyrazole-4-carboxamide (PubChem CID 79111863) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-N-propyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-N-propyl-1H-pyrazole-4-carboxamide
PubChem CID79111863
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-(4-aminocyclohexyl)-N-propyl-1H-pyrazole-4-carboxamide
SMILESCCCN(C(=O)c1cn[nH]c1)C1CCC(N)CC1
InChIInChI=1S/C13H22N4O/c1-2-7-17(12-5-3-11(14)4-6-12)13(18)10-8-15-16-9-10/h8-9,11-12H,2-7,14H2,1H3,(H,15,16)
InChIKeyHJSLUZWFXNYELN-UHFFFAOYSA-N
XLogP1.53
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-N-propyl-1H-pyrazole-4-carboxamide
CID 61231138
N-cyclopentyl-N-[2-(dimethylamino)ethyl]-1H-pyrazole-4-carboxamide
CID 54877373
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-1H-pyrazole-4-carboxamide
CID 76983754
2-[cyclopropyl(1H-pyrazole-4-carbonyl)amino]acetic acid
CID 60825684
N-(4-aminocyclohexyl)-5-bromo-N-propylpyridine-2-carboxamide
CID 79112080
N-(4-aminocyclohexyl)-1-methyl-N-propylimidazole-4-carboxamide
CID 107973411
4-[propyl(1H-pyrazole-4-carbonyl)amino]oxolane-3-carboxylic acid
CID 66253972
N-(cyclopropylmethyl)-N-ethyl-1H-pyrazole-4-carboxamide
CID 63938903
N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrazole-4-carboxamide
CID 106599332
N-cyclopropyl-6-hydrazinyl-N-propylpyridine-3-carboxamide
CID 62243561
N-(4-aminocyclohexyl)-3-bromo-4-chloro-N-propylbenzamide
CID 107990599
N-cyclopentyl-N-prop-2-enyl-1H-pyrazole-4-carboxamide
CID 60959160

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-N-propyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-N-propyl-1H-pyrazole-4-carboxamide (CID 79111863) is N-(4-aminocyclohexyl)-N-propyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-N-propyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-N-propyl-1H-pyrazole-4-carboxamide is CCCN(C(=O)c1cn[nH]c1)C1CCC(N)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-N-propyl-1H-pyrazole-4-carboxamide?
The InChIKey is HJSLUZWFXNYELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-2-7-17(12-5-3-11(14)4-6-12)13(18)10-8-15-16-9-10/h8-9,11-12H,2-7,14H2,1H3,(H,15,16).
What are the key properties of N-(4-aminocyclohexyl)-N-propyl-1H-pyrazole-4-carboxamide?
N-(4-aminocyclohexyl)-N-propyl-1H-pyrazole-4-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-N-propyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 79111863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).