3-(4-cyanophenyl)-N-(cyclopropylmethyl)-4-ethyl-1-propan-2-ylpyrazole-5-carboxamide

C20H24N4O — CID 59504827

IUPAC3-(4-cyanophenyl)-N-(cyclopropylmethyl)-4-ethyl-1-propan-2-ylpyrazole-5-carboxamide
SMILESCCc1c(-c2ccc(C#N)cc2)nn(C(C)C)c1C(=O)NCC1CC1
InChIInChI=1S/C20H24N4O/c1-4-17-18(16-9-7-14(11-21)8-10-16)23-24(13(2)3)19(17)20(25)22-12-15-5-6-15/h7-10,13,15H,4-6,12H2,1-3H3,(H,22,25)
InChIKeyRDCCZYHLSAKEIS-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.70
Rot. Bonds6

About 3-(4-cyanophenyl)-N-(cyclopropylmethyl)-4-ethyl-1-propan-2-ylpyrazole-5-carboxamide

3-(4-cyanophenyl)-N-(cyclopropylmethyl)-4-ethyl-1-propan-2-ylpyrazole-5-carboxamide (PubChem CID 59504827) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 3-(4-cyanophenyl)-N-(cyclopropylmethyl)-4-ethyl-1-propan-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-cyanophenyl)-N-(cyclopropylmethyl)-4-ethyl-1-propan-2-ylpyrazole-5-carboxamide
PubChem CID59504827
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name3-(4-cyanophenyl)-N-(cyclopropylmethyl)-4-ethyl-1-propan-2-ylpyrazole-5-carboxamide
SMILESCCc1c(-c2ccc(C#N)cc2)nn(C(C)C)c1C(=O)NCC1CC1
InChIInChI=1S/C20H24N4O/c1-4-17-18(16-9-7-14(11-21)8-10-16)23-24(13(2)3)19(17)20(25)22-12-15-5-6-15/h7-10,13,15H,4-6,12H2,1-3H3,(H,22,25)
InChIKeyRDCCZYHLSAKEIS-UHFFFAOYSA-N
XLogP3.70
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-cyanophenyl)-N-(cyclopropylmethyl)-4-ethyl-1-propan-2-ylpyrazole-5-carboxamide?
The IUPAC name of 3-(4-cyanophenyl)-N-(cyclopropylmethyl)-4-ethyl-1-propan-2-ylpyrazole-5-carboxamide (CID 59504827) is 3-(4-cyanophenyl)-N-(cyclopropylmethyl)-4-ethyl-1-propan-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-cyanophenyl)-N-(cyclopropylmethyl)-4-ethyl-1-propan-2-ylpyrazole-5-carboxamide?
The canonical SMILES for 3-(4-cyanophenyl)-N-(cyclopropylmethyl)-4-ethyl-1-propan-2-ylpyrazole-5-carboxamide is CCc1c(-c2ccc(C#N)cc2)nn(C(C)C)c1C(=O)NCC1CC1.
What is the InChIKey of 3-(4-cyanophenyl)-N-(cyclopropylmethyl)-4-ethyl-1-propan-2-ylpyrazole-5-carboxamide?
The InChIKey is RDCCZYHLSAKEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-4-17-18(16-9-7-14(11-21)8-10-16)23-24(13(2)3)19(17)20(25)22-12-15-5-6-15/h7-10,13,15H,4-6,12H2,1-3H3,(H,22,25).
What are the key properties of 3-(4-cyanophenyl)-N-(cyclopropylmethyl)-4-ethyl-1-propan-2-ylpyrazole-5-carboxamide?
3-(4-cyanophenyl)-N-(cyclopropylmethyl)-4-ethyl-1-propan-2-ylpyrazole-5-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyanophenyl)-N-(cyclopropylmethyl)-4-ethyl-1-propan-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 59504827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).