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

C12H17N5O — CID 19323686

IUPAC1-methyl-N-[3-(3-methylpyrazol-1-yl)propyl]pyrazole-4-carboxamide
SMILESCc1ccn(CCCNC(=O)c2cnn(C)c2)n1
InChIInChI=1S/C12H17N5O/c1-10-4-7-17(15-10)6-3-5-13-12(18)11-8-14-16(2)9-11/h4,7-9H,3,5-6H2,1-2H3,(H,13,18)
InChIKeyLREBKCOHNPGMBW-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.75
Rot. Bonds5

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

1-methyl-N-[3-(3-methylpyrazol-1-yl)propyl]pyrazole-4-carboxamide (PubChem CID 19323686) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-methyl-N-[3-(3-methylpyrazol-1-yl)propyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[3-(3-methylpyrazol-1-yl)propyl]pyrazole-4-carboxamide
PubChem CID19323686
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name1-methyl-N-[3-(3-methylpyrazol-1-yl)propyl]pyrazole-4-carboxamide
SMILESCc1ccn(CCCNC(=O)c2cnn(C)c2)n1
InChIInChI=1S/C12H17N5O/c1-10-4-7-17(15-10)6-3-5-13-12(18)11-8-14-16(2)9-11/h4,7-9H,3,5-6H2,1-2H3,(H,13,18)
InChIKeyLREBKCOHNPGMBW-UHFFFAOYSA-N
XLogP0.75
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide
CID 19297962
3,4-diethoxy-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide
CID 19297941
N-(5-bromopentyl)-1-methylpyrazole-4-carboxamide
CID 107321851
4-(difluoromethoxy)-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide
CID 19323728
2-(difluoromethyl)-N-[3-(3-methylpyrazol-1-yl)propyl]pyrazole-3-carboxamide
CID 19323782
N-[3-(3-methylpyrazol-1-yl)propyl]butanamide
CID 19323910
N-(2-methoxyethyl)-1-methylpyrazole-4-carboxamide
CID 19474676
N-[3-(3-methylpyrazol-1-yl)propyl]cyclohexanecarboxamide
CID 19323903
2,4-dichloro-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide
CID 19323927
4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide
CID 19323814
4-[(4-chlorophenoxy)methyl]-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide
CID 19323842
N-(5-bromo-4-methylpentyl)-1-methylpyrazole-4-carboxamide
CID 106157531

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[3-(3-methylpyrazol-1-yl)propyl]pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[3-(3-methylpyrazol-1-yl)propyl]pyrazole-4-carboxamide (CID 19323686) is 1-methyl-N-[3-(3-methylpyrazol-1-yl)propyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[3-(3-methylpyrazol-1-yl)propyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[3-(3-methylpyrazol-1-yl)propyl]pyrazole-4-carboxamide is Cc1ccn(CCCNC(=O)c2cnn(C)c2)n1.
What is the InChIKey of 1-methyl-N-[3-(3-methylpyrazol-1-yl)propyl]pyrazole-4-carboxamide?
The InChIKey is LREBKCOHNPGMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-10-4-7-17(15-10)6-3-5-13-12(18)11-8-14-16(2)9-11/h4,7-9H,3,5-6H2,1-2H3,(H,13,18).
What are the key properties of 1-methyl-N-[3-(3-methylpyrazol-1-yl)propyl]pyrazole-4-carboxamide?
1-methyl-N-[3-(3-methylpyrazol-1-yl)propyl]pyrazole-4-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[3-(3-methylpyrazol-1-yl)propyl]pyrazole-4-carboxamide is sourced from PubChem (CID 19323686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).