N-cyclopentyl-N-[2-(dimethylamino)ethyl]-1H-pyrazole-4-carboxamide

C13H22N4O — CID 54877373

IUPACN-cyclopentyl-N-[2-(dimethylamino)ethyl]-1H-pyrazole-4-carboxamide
SMILESCN(C)CCN(C(=O)c1cn[nH]c1)C1CCCC1
InChIInChI=1S/C13H22N4O/c1-16(2)7-8-17(12-5-3-4-6-12)13(18)11-9-14-15-10-11/h9-10,12H,3-8H2,1-2H3,(H,14,15)
InChIKeyQQRJVIKRTRHVKF-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.36
Rot. Bonds5

About N-cyclopentyl-N-[2-(dimethylamino)ethyl]-1H-pyrazole-4-carboxamide

N-cyclopentyl-N-[2-(dimethylamino)ethyl]-1H-pyrazole-4-carboxamide (PubChem CID 54877373) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-cyclopentyl-N-[2-(dimethylamino)ethyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-N-[2-(dimethylamino)ethyl]-1H-pyrazole-4-carboxamide
PubChem CID54877373
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-cyclopentyl-N-[2-(dimethylamino)ethyl]-1H-pyrazole-4-carboxamide
SMILESCN(C)CCN(C(=O)c1cn[nH]c1)C1CCCC1
InChIInChI=1S/C13H22N4O/c1-16(2)7-8-17(12-5-3-4-6-12)13(18)11-9-14-15-10-11/h9-10,12H,3-8H2,1-2H3,(H,14,15)
InChIKeyQQRJVIKRTRHVKF-UHFFFAOYSA-N
XLogP1.36
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-N-prop-2-enyl-1H-pyrazole-4-carboxamide
CID 60959160
N-(4-aminocyclohexyl)-N-propyl-1H-pyrazole-4-carboxamide
CID 79111863
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-propyl-1H-pyrazole-4-carboxamide
CID 61231138
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-1H-pyrazole-4-carboxamide
CID 76983754
2-[cyclopropyl(1H-pyrazole-4-carbonyl)amino]acetic acid
CID 60825684
4-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-1H-pyrazole-5-carboxamide
CID 63102876
N-[3-(dimethylamino)propyl]-N-methyl-1H-pyrazole-4-carboxamide
CID 63701216
N,N-bis[3-(dimethylamino)propyl]-1H-pyrazole-4-carboxamide
CID 60959519
N-[3-(dimethylamino)propyl]-N-ethyl-1H-pyrazole-4-carboxamide
CID 102978931
N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrazole-4-carboxamide
CID 106599332
4-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-1H-pyrrole-2-carboxamide
CID 61114401
N-methyl-N-piperidin-3-yl-1H-pyrazole-4-carboxamide
CID 60806877

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[2-(dimethylamino)ethyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-cyclopentyl-N-[2-(dimethylamino)ethyl]-1H-pyrazole-4-carboxamide (CID 54877373) is N-cyclopentyl-N-[2-(dimethylamino)ethyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-N-[2-(dimethylamino)ethyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-cyclopentyl-N-[2-(dimethylamino)ethyl]-1H-pyrazole-4-carboxamide is CN(C)CCN(C(=O)c1cn[nH]c1)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-[2-(dimethylamino)ethyl]-1H-pyrazole-4-carboxamide?
The InChIKey is QQRJVIKRTRHVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-16(2)7-8-17(12-5-3-4-6-12)13(18)11-9-14-15-10-11/h9-10,12H,3-8H2,1-2H3,(H,14,15).
What are the key properties of N-cyclopentyl-N-[2-(dimethylamino)ethyl]-1H-pyrazole-4-carboxamide?
N-cyclopentyl-N-[2-(dimethylamino)ethyl]-1H-pyrazole-4-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-[2-(dimethylamino)ethyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 54877373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).