N-[3-(1-methylpyrazol-4-yl)propyl]-3-phenylpyrazolidine-4-carboxamide

C17H23N5O — CID 134079697

IUPACN-[3-(1-methylpyrazol-4-yl)propyl]-3-phenylpyrazolidine-4-carboxamide
SMILESCn1cc(CCCNC(=O)C2CNNC2c2ccccc2)cn1
InChIInChI=1S/C17H23N5O/c1-22-12-13(10-20-22)6-5-9-18-17(23)15-11-19-21-16(15)14-7-3-2-4-8-14/h2-4,7-8,10,12,15-16,19,21H,5-6,9,11H2,1H3,(H,18,23)
InChIKeyCVPCRTWRUGXVBL-UHFFFAOYSA-N
MW313.41 g/mol
LogP0.93
Rot. Bonds6

About N-[3-(1-methylpyrazol-4-yl)propyl]-3-phenylpyrazolidine-4-carboxamide

N-[3-(1-methylpyrazol-4-yl)propyl]-3-phenylpyrazolidine-4-carboxamide (PubChem CID 134079697) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is N-[3-(1-methylpyrazol-4-yl)propyl]-3-phenylpyrazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(1-methylpyrazol-4-yl)propyl]-3-phenylpyrazolidine-4-carboxamide
PubChem CID134079697
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC NameN-[3-(1-methylpyrazol-4-yl)propyl]-3-phenylpyrazolidine-4-carboxamide
SMILESCn1cc(CCCNC(=O)C2CNNC2c2ccccc2)cn1
InChIInChI=1S/C17H23N5O/c1-22-12-13(10-20-22)6-5-9-18-17(23)15-11-19-21-16(15)14-7-3-2-4-8-14/h2-4,7-8,10,12,15-16,19,21H,5-6,9,11H2,1H3,(H,18,23)
InChIKeyCVPCRTWRUGXVBL-UHFFFAOYSA-N
XLogP0.93
TPSA70.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-phenylpyrazolidine-4-carboxamide
CID 74648805
N-[2-(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl]-3-phenylpyrazolidine-4-carboxamide
CID 134068392
3-phenyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolidine-4-carboxamide
CID 52975448
1-(2,3-dihydro-1H-inden-2-yl)-3-[3-(1-methylpyrazol-4-yl)propyl]urea
CID 86791947
(2R)-N-[3-(1-methylpyrazol-4-yl)propyl]-2-phenoxypropanamide
CID 94818590
N-[3-(1-methylpyrazol-4-yl)propyl]-1,3-thiazolidine-4-carboxamide
CID 119316160
3-amino-N-[3-(1-methylpyrazol-4-yl)propyl]-3-phenylpropanamide
CID 119951131
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-phenylpyrazolidine-4-carboxamide
CID 134027884
6-[3-(1-methylpyrazol-4-yl)propylcarbamoyl]pyridine-2-carboxylic acid
CID 119184013
3-(4-chlorophenyl)-N-(3-indol-1-ylpropyl)pyrazolidine-4-carboxamide
CID 52976185
3-(4-chlorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolidine-4-carboxamide
CID 134037133
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-phenylpyrazolidine-4-carboxamide
CID 74621923

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methylpyrazol-4-yl)propyl]-3-phenylpyrazolidine-4-carboxamide?
The IUPAC name of N-[3-(1-methylpyrazol-4-yl)propyl]-3-phenylpyrazolidine-4-carboxamide (CID 134079697) is N-[3-(1-methylpyrazol-4-yl)propyl]-3-phenylpyrazolidine-4-carboxamide.
What is the SMILES notation for N-[3-(1-methylpyrazol-4-yl)propyl]-3-phenylpyrazolidine-4-carboxamide?
The canonical SMILES for N-[3-(1-methylpyrazol-4-yl)propyl]-3-phenylpyrazolidine-4-carboxamide is Cn1cc(CCCNC(=O)C2CNNC2c2ccccc2)cn1.
What is the InChIKey of N-[3-(1-methylpyrazol-4-yl)propyl]-3-phenylpyrazolidine-4-carboxamide?
The InChIKey is CVPCRTWRUGXVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-22-12-13(10-20-22)6-5-9-18-17(23)15-11-19-21-16(15)14-7-3-2-4-8-14/h2-4,7-8,10,12,15-16,19,21H,5-6,9,11H2,1H3,(H,18,23).
What are the key properties of N-[3-(1-methylpyrazol-4-yl)propyl]-3-phenylpyrazolidine-4-carboxamide?
N-[3-(1-methylpyrazol-4-yl)propyl]-3-phenylpyrazolidine-4-carboxamide has a molecular weight of 313.41 g/mol, XLogP of 0.93, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methylpyrazol-4-yl)propyl]-3-phenylpyrazolidine-4-carboxamide is sourced from PubChem (CID 134079697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).