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

C14H17N7O — CID 46961707

IUPACN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
SMILESCc1n[nH]c(C)c1CNC(=O)c1cc(-c2cnn(C)c2)n[nH]1
InChIInChI=1S/C14H17N7O/c1-8-11(9(2)18-17-8)6-15-14(22)13-4-12(19-20-13)10-5-16-21(3)7-10/h4-5,7H,6H2,1-3H3,(H,15,22)(H,17,18)(H,19,20)
InChIKeyYVEAXZSVMBWEQY-UHFFFAOYSA-N
MW299.34 g/mol
LogP1.08
Rot. Bonds4

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

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazole-5-carboxamide (PubChem CID 46961707) has the molecular formula C14H17N7O and a molecular weight of 299.34 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
PubChem CID46961707
Molecular FormulaC14H17N7O
Molecular Weight299.34 g/mol
Exact Mass299.15
IUPAC NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
SMILESCc1n[nH]c(C)c1CNC(=O)c1cc(-c2cnn(C)c2)n[nH]1
InChIInChI=1S/C14H17N7O/c1-8-11(9(2)18-17-8)6-15-14(22)13-4-12(19-20-13)10-5-16-21(3)7-10/h4-5,7H,6H2,1-3H3,(H,15,22)(H,17,18)(H,19,20)
InChIKeyYVEAXZSVMBWEQY-UHFFFAOYSA-N
XLogP1.08
TPSA104.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazole-5-carboxamide (CID 46961707) is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazole-5-carboxamide is Cc1n[nH]c(C)c1CNC(=O)c1cc(-c2cnn(C)c2)n[nH]1.
What is the InChIKey of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is YVEAXZSVMBWEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7O/c1-8-11(9(2)18-17-8)6-15-14(22)13-4-12(19-20-13)10-5-16-21(3)7-10/h4-5,7H,6H2,1-3H3,(H,15,22)(H,17,18)(H,19,20).
What are the key properties of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 299.34 g/mol, XLogP of 1.08, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 46961707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).