N-[(5-chlorothiophen-2-yl)methyl]-5-cyclopropyl-N-prop-2-enyl-1H-pyrazole-3-carboxamide

C15H16ClN3OS — CID 39432778

IUPACN-[(5-chlorothiophen-2-yl)methyl]-5-cyclopropyl-N-prop-2-enyl-1H-pyrazole-3-carboxamide
SMILESC=CCN(Cc1ccc(Cl)s1)C(=O)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C15H16ClN3OS/c1-2-7-19(9-11-5-6-14(16)21-11)15(20)13-8-12(17-18-13)10-3-4-10/h2,5-6,8,10H,1,3-4,7,9H2,(H,17,18)
InChIKeyDOMYUWRXVNADHV-UHFFFAOYSA-N
MW321.83 g/mol
LogP3.83
Rot. Bonds6

About N-[(5-chlorothiophen-2-yl)methyl]-5-cyclopropyl-N-prop-2-enyl-1H-pyrazole-3-carboxamide

N-[(5-chlorothiophen-2-yl)methyl]-5-cyclopropyl-N-prop-2-enyl-1H-pyrazole-3-carboxamide (PubChem CID 39432778) has the molecular formula C15H16ClN3OS and a molecular weight of 321.83 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-5-cyclopropyl-N-prop-2-enyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-5-cyclopropyl-N-prop-2-enyl-1H-pyrazole-3-carboxamide
PubChem CID39432778
Molecular FormulaC15H16ClN3OS
Molecular Weight321.83 g/mol
Exact Mass321.07
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-5-cyclopropyl-N-prop-2-enyl-1H-pyrazole-3-carboxamide
SMILESC=CCN(Cc1ccc(Cl)s1)C(=O)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C15H16ClN3OS/c1-2-7-19(9-11-5-6-14(16)21-11)15(20)13-8-12(17-18-13)10-3-4-10/h2,5-6,8,10H,1,3-4,7,9H2,(H,17,18)
InChIKeyDOMYUWRXVNADHV-UHFFFAOYSA-N
XLogP3.83
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-5-(2-methylpropyl)-N-prop-2-enyl-1H-pyrazole-3-carboxamide
CID 55738084
N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enyl-1,3-thiazole-4-carboxamide
CID 62045486
(2S,4S)-N-[(5-chlorothiophen-2-yl)methyl]-2-methyl-N-prop-2-enylpiperidine-4-carboxamide
CID 120618136
4-[(5-chlorothiophen-2-yl)methyl-prop-2-enylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672288
N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylthiophene-2-carboxamide
CID 60646137
2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974499
N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylpyrrolidine-2-carboxamide
CID 60717412
(2S,4S)-N-[(5-chlorothiophen-2-yl)methyl]-2-methyl-N-prop-2-enylpiperidine-4-carboxamide;hydrochloride
CID 120618135
N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enyl-1,3-benzodioxole-5-carboxamide
CID 78792313
2-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylacetamide
CID 63681418
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylacetamide;hydrochloride
CID 119688622
2-(1-aminoethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enyl-1,3-thiazole-4-carboxamide
CID 66390052

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-5-cyclopropyl-N-prop-2-enyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-5-cyclopropyl-N-prop-2-enyl-1H-pyrazole-3-carboxamide (CID 39432778) is N-[(5-chlorothiophen-2-yl)methyl]-5-cyclopropyl-N-prop-2-enyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-5-cyclopropyl-N-prop-2-enyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-5-cyclopropyl-N-prop-2-enyl-1H-pyrazole-3-carboxamide is C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc(C2CC2)[nH]n1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-5-cyclopropyl-N-prop-2-enyl-1H-pyrazole-3-carboxamide?
The InChIKey is DOMYUWRXVNADHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3OS/c1-2-7-19(9-11-5-6-14(16)21-11)15(20)13-8-12(17-18-13)10-3-4-10/h2,5-6,8,10H,1,3-4,7,9H2,(H,17,18).
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-5-cyclopropyl-N-prop-2-enyl-1H-pyrazole-3-carboxamide?
N-[(5-chlorothiophen-2-yl)methyl]-5-cyclopropyl-N-prop-2-enyl-1H-pyrazole-3-carboxamide has a molecular weight of 321.83 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-5-cyclopropyl-N-prop-2-enyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 39432778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).