(2R)-N-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-2-phenylbutanamide

C23H26N4O — CID 97427511

IUPAC(2R)-N-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-2-phenylbutanamide
SMILESCC[C@@H](C(=O)NCCn1nc(-c2ccncc2)cc1C1CC1)c1ccccc1
InChIInChI=1S/C23H26N4O/c1-2-20(17-6-4-3-5-7-17)23(28)25-14-15-27-22(19-8-9-19)16-21(26-27)18-10-12-24-13-11-18/h3-7,10-13,16,19-20H,2,8-9,14-15H2,1H3,(H,25,28)/t20-/m1/s1
InChIKeyBLKJVNOSMBRVBI-HXUWFJFHSA-N
MW374.49 g/mol
LogP4.13
Rot. Bonds8

About (2R)-N-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-2-phenylbutanamide

(2R)-N-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-2-phenylbutanamide (PubChem CID 97427511) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is (2R)-N-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-2-phenylbutanamide.

Molecular Properties

Compound Name(2R)-N-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-2-phenylbutanamide
PubChem CID97427511
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name(2R)-N-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-2-phenylbutanamide
SMILESCC[C@@H](C(=O)NCCn1nc(-c2ccncc2)cc1C1CC1)c1ccccc1
InChIInChI=1S/C23H26N4O/c1-2-20(17-6-4-3-5-7-17)23(28)25-14-15-27-22(19-8-9-19)16-21(26-27)18-10-12-24-13-11-18/h3-7,10-13,16,19-20H,2,8-9,14-15H2,1H3,(H,25,28)/t20-/m1/s1
InChIKeyBLKJVNOSMBRVBI-HXUWFJFHSA-N
XLogP4.13
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-2-phenylbutanamide?
The IUPAC name of (2R)-N-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-2-phenylbutanamide (CID 97427511) is (2R)-N-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-2-phenylbutanamide.
What is the SMILES notation for (2R)-N-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-2-phenylbutanamide?
The canonical SMILES for (2R)-N-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-2-phenylbutanamide is CC[C@@H](C(=O)NCCn1nc(-c2ccncc2)cc1C1CC1)c1ccccc1.
What is the InChIKey of (2R)-N-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-2-phenylbutanamide?
The InChIKey is BLKJVNOSMBRVBI-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H26N4O/c1-2-20(17-6-4-3-5-7-17)23(28)25-14-15-27-22(19-8-9-19)16-21(26-27)18-10-12-24-13-11-18/h3-7,10-13,16,19-20H,2,8-9,14-15H2,1H3,(H,25,28)/t20-/m1/s1.
What are the key properties of (2R)-N-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-2-phenylbutanamide?
(2R)-N-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-2-phenylbutanamide has a molecular weight of 374.49 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-2-phenylbutanamide is sourced from PubChem (CID 97427511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).