N-cyclopentyl-N-prop-2-enyl-1H-pyrazole-4-carboxamide

C12H17N3O — CID 60959160

IUPACN-cyclopentyl-N-prop-2-enyl-1H-pyrazole-4-carboxamide
SMILESC=CCN(C(=O)c1cn[nH]c1)C1CCCC1
InChIInChI=1S/C12H17N3O/c1-2-7-15(11-5-3-4-6-11)12(16)10-8-13-14-9-10/h2,8-9,11H,1,3-7H2,(H,13,14)
InChIKeyGEUKEMVHGVOSSL-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.98
Rot. Bonds4

About N-cyclopentyl-N-prop-2-enyl-1H-pyrazole-4-carboxamide

N-cyclopentyl-N-prop-2-enyl-1H-pyrazole-4-carboxamide (PubChem CID 60959160) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is N-cyclopentyl-N-prop-2-enyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-N-prop-2-enyl-1H-pyrazole-4-carboxamide
PubChem CID60959160
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC NameN-cyclopentyl-N-prop-2-enyl-1H-pyrazole-4-carboxamide
SMILESC=CCN(C(=O)c1cn[nH]c1)C1CCCC1
InChIInChI=1S/C12H17N3O/c1-2-7-15(11-5-3-4-6-11)12(16)10-8-13-14-9-10/h2,8-9,11H,1,3-7H2,(H,13,14)
InChIKeyGEUKEMVHGVOSSL-UHFFFAOYSA-N
XLogP1.98
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopentyl-N-[2-(dimethylamino)ethyl]-1H-pyrazole-4-carboxamide
CID 54877373
N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrazole-4-carboxamide
CID 106599332
2-[cyclopropyl(1H-pyrazole-4-carbonyl)amino]acetic acid
CID 60825684
3-amino-N-cyclopentyl-N-prop-2-enyl-1H-1,2,4-triazole-5-carboxamide
CID 62793173
N-methyl-N-piperidin-3-yl-1H-pyrazole-4-carboxamide
CID 60806877
N-cyclopentyl-N-prop-2-enyl-1H-indole-5-carboxamide
CID 63717710
2-chloro-N-cyclopentyl-6-methyl-N-prop-2-enylpyridine-4-carboxamide
CID 113378374
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
N-cyclopentyl-4-fluoro-3-methyl-N-prop-2-enylbenzamide
CID 63213492
N-(cyclohexylmethyl)-1H-pyrazole-4-carboxamide
CID 6734414

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-prop-2-enyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-cyclopentyl-N-prop-2-enyl-1H-pyrazole-4-carboxamide (CID 60959160) is N-cyclopentyl-N-prop-2-enyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-N-prop-2-enyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-cyclopentyl-N-prop-2-enyl-1H-pyrazole-4-carboxamide is C=CCN(C(=O)c1cn[nH]c1)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-prop-2-enyl-1H-pyrazole-4-carboxamide?
The InChIKey is GEUKEMVHGVOSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-2-7-15(11-5-3-4-6-11)12(16)10-8-13-14-9-10/h2,8-9,11H,1,3-7H2,(H,13,14).
What are the key properties of N-cyclopentyl-N-prop-2-enyl-1H-pyrazole-4-carboxamide?
N-cyclopentyl-N-prop-2-enyl-1H-pyrazole-4-carboxamide has a molecular weight of 219.29 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-prop-2-enyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 60959160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).