3-cyclopropyl-N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-5-methyl-1H-pyrazole-4-carboxamide

C17H25N5O — CID 118787033

IUPAC3-cyclopropyl-N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1nn(C(C)C)c(C)c1CNC(=O)c1c(C2CC2)n[nH]c1C
InChIInChI=1S/C17H25N5O/c1-9(2)22-12(5)14(10(3)21-22)8-18-17(23)15-11(4)19-20-16(15)13-6-7-13/h9,13H,6-8H2,1-5H3,(H,18,23)(H,19,20)
InChIKeyNKDCTPIXYHYQDB-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.92
Rot. Bonds5

About 3-cyclopropyl-N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-5-methyl-1H-pyrazole-4-carboxamide

3-cyclopropyl-N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 118787033) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 3-cyclopropyl-N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID118787033
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name3-cyclopropyl-N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1nn(C(C)C)c(C)c1CNC(=O)c1c(C2CC2)n[nH]c1C
InChIInChI=1S/C17H25N5O/c1-9(2)22-12(5)14(10(3)21-22)8-18-17(23)15-11(4)19-20-16(15)13-6-7-13/h9,13H,6-8H2,1-5H3,(H,18,23)(H,19,20)
InChIKeyNKDCTPIXYHYQDB-UHFFFAOYSA-N
XLogP2.92
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-cyclopropyl-N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-5-methyl-1H-pyrazole-4-carboxamide (CID 118787033) is 3-cyclopropyl-N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-5-methyl-1H-pyrazole-4-carboxamide is Cc1nn(C(C)C)c(C)c1CNC(=O)c1c(C2CC2)n[nH]c1C.
What is the InChIKey of 3-cyclopropyl-N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is NKDCTPIXYHYQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-9(2)22-12(5)14(10(3)21-22)8-18-17(23)15-11(4)19-20-16(15)13-6-7-13/h9,13H,6-8H2,1-5H3,(H,18,23)(H,19,20).
What are the key properties of 3-cyclopropyl-N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-5-methyl-1H-pyrazole-4-carboxamide?
3-cyclopropyl-N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 118787033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).