N-[(S)-cyclopropyl(phenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide

C17H21N3O — CID 97122450

IUPACN-[(S)-cyclopropyl(phenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)N[C@H](c2ccccc2)C2CC2)n[nH]1
InChIInChI=1S/C17H21N3O/c1-2-6-14-11-15(20-19-14)17(21)18-16(13-9-10-13)12-7-4-3-5-8-12/h3-5,7-8,11,13,16H,2,6,9-10H2,1H3,(H,18,21)(H,19,20)/t16-/m1/s1
InChIKeyOQLSHPLSRPQNIR-MRXNPFEDSA-N
MW283.38 g/mol
LogP3.24
Rot. Bonds6

About N-[(S)-cyclopropyl(phenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide

N-[(S)-cyclopropyl(phenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide (PubChem CID 97122450) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-[(S)-cyclopropyl(phenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(S)-cyclopropyl(phenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
PubChem CID97122450
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-[(S)-cyclopropyl(phenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)N[C@H](c2ccccc2)C2CC2)n[nH]1
InChIInChI=1S/C17H21N3O/c1-2-6-14-11-15(20-19-14)17(21)18-16(13-9-10-13)12-7-4-3-5-8-12/h3-5,7-8,11,13,16H,2,6,9-10H2,1H3,(H,18,21)(H,19,20)/t16-/m1/s1
InChIKeyOQLSHPLSRPQNIR-MRXNPFEDSA-N
XLogP3.24
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(S)-cyclopropyl(phenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(S)-cyclopropyl(phenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide (CID 97122450) is N-[(S)-cyclopropyl(phenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(S)-cyclopropyl(phenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(S)-cyclopropyl(phenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide is CCCc1cc(C(=O)N[C@H](c2ccccc2)C2CC2)n[nH]1.
What is the InChIKey of N-[(S)-cyclopropyl(phenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide?
The InChIKey is OQLSHPLSRPQNIR-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H21N3O/c1-2-6-14-11-15(20-19-14)17(21)18-16(13-9-10-13)12-7-4-3-5-8-12/h3-5,7-8,11,13,16H,2,6,9-10H2,1H3,(H,18,21)(H,19,20)/t16-/m1/s1.
What are the key properties of N-[(S)-cyclopropyl(phenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide?
N-[(S)-cyclopropyl(phenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide has a molecular weight of 283.38 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-cyclopropyl(phenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 97122450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).