N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-1H-pyrazole-4-carboxamide

C12H17N5O — CID 77094251

IUPACN-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1CCCNC(=O)c1cn[nH]c1
InChIInChI=1S/C12H17N5O/c1-8-11(9(2)17-16-8)4-3-5-13-12(18)10-6-14-15-7-10/h6-7H,3-5H2,1-2H3,(H,13,18)(H,14,15)(H,16,17)
InChIKeyFMJSLGRMNQOHND-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.11
Rot. Bonds5

About N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-1H-pyrazole-4-carboxamide

N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-1H-pyrazole-4-carboxamide (PubChem CID 77094251) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-1H-pyrazole-4-carboxamide
PubChem CID77094251
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC NameN-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1CCCNC(=O)c1cn[nH]c1
InChIInChI=1S/C12H17N5O/c1-8-11(9(2)17-16-8)4-3-5-13-12(18)10-6-14-15-7-10/h6-7H,3-5H2,1-2H3,(H,13,18)(H,14,15)(H,16,17)
InChIKeyFMJSLGRMNQOHND-UHFFFAOYSA-N
XLogP1.11
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 72936927
N-(3-methylsulfonylpropyl)-1H-pyrazole-4-carboxamide
CID 61037227
ethyl 4-(1H-pyrazole-4-carbonylamino)butanoate
CID 60788161
3-(5-acetyl-2-pyridinyl)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]benzamide
CID 122568538
N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-(6-oxo-1H-pyridin-2-yl)benzamide
CID 118791459
N-(6-aminohexyl)-1H-pyrazole-4-carboxamide
CID 107843778
N-(6-chlorohexyl)-1H-pyrazole-4-carboxamide
CID 107846522
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-(methylsulfamoyl)pyridine-3-carboxamide
CID 126828084
5-chloro-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-methoxybenzamide
CID 91794027
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110742816
N-(5,5,5-trifluoropentyl)-1H-pyrazole-4-carboxamide
CID 115491628
N-hex-5-ynyl-1H-pyrazole-4-carboxamide
CID 103757880

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-1H-pyrazole-4-carboxamide (CID 77094251) is N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-1H-pyrazole-4-carboxamide is Cc1n[nH]c(C)c1CCCNC(=O)c1cn[nH]c1.
What is the InChIKey of N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-1H-pyrazole-4-carboxamide?
The InChIKey is FMJSLGRMNQOHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-8-11(9(2)17-16-8)4-3-5-13-12(18)10-6-14-15-7-10/h6-7H,3-5H2,1-2H3,(H,13,18)(H,14,15)(H,16,17).
What are the key properties of N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-1H-pyrazole-4-carboxamide?
N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-1H-pyrazole-4-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 1.11, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 77094251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).