3-cyclopropyl-N-[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-methylpyrazole-4-carboxamide

C17H25N5O — CID 126839438

IUPAC3-cyclopropyl-N-[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-methylpyrazole-4-carboxamide
SMILESCCc1c(NC(=O)c2cn(C)nc2C2CC2)cnn1CC(C)C
InChIInChI=1S/C17H25N5O/c1-5-15-14(8-18-22(15)9-11(2)3)19-17(23)13-10-21(4)20-16(13)12-6-7-12/h8,10-12H,5-7,9H2,1-4H3,(H,19,23)
InChIKeyVLDTYHFFRISHJQ-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.96
Rot. Bonds6

About 3-cyclopropyl-N-[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-methylpyrazole-4-carboxamide

3-cyclopropyl-N-[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-methylpyrazole-4-carboxamide (PubChem CID 126839438) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 3-cyclopropyl-N-[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-methylpyrazole-4-carboxamide
PubChem CID126839438
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name3-cyclopropyl-N-[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-methylpyrazole-4-carboxamide
SMILESCCc1c(NC(=O)c2cn(C)nc2C2CC2)cnn1CC(C)C
InChIInChI=1S/C17H25N5O/c1-5-15-14(8-18-22(15)9-11(2)3)19-17(23)13-10-21(4)20-16(13)12-6-7-12/h8,10-12H,5-7,9H2,1-4H3,(H,19,23)
InChIKeyVLDTYHFFRISHJQ-UHFFFAOYSA-N
XLogP2.96
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of 3-cyclopropyl-N-[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-methylpyrazole-4-carboxamide (CID 126839438) is 3-cyclopropyl-N-[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-methylpyrazole-4-carboxamide is CCc1c(NC(=O)c2cn(C)nc2C2CC2)cnn1CC(C)C.
What is the InChIKey of 3-cyclopropyl-N-[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-methylpyrazole-4-carboxamide?
The InChIKey is VLDTYHFFRISHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-5-15-14(8-18-22(15)9-11(2)3)19-17(23)13-10-21(4)20-16(13)12-6-7-12/h8,10-12H,5-7,9H2,1-4H3,(H,19,23).
What are the key properties of 3-cyclopropyl-N-[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-methylpyrazole-4-carboxamide?
3-cyclopropyl-N-[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-methylpyrazole-4-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 126839438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).