(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2R)-2-pyridin-4-ylpropyl]butanamide

C17H24N4O — CID 97329837

IUPAC(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2R)-2-pyridin-4-ylpropyl]butanamide
SMILESCc1n[nH]c(C)c1[C@H](C)CC(=O)NC[C@H](C)c1ccncc1
InChIInChI=1S/C17H24N4O/c1-11(17-13(3)20-21-14(17)4)9-16(22)19-10-12(2)15-5-7-18-8-6-15/h5-8,11-12H,9-10H2,1-4H3,(H,19,22)(H,20,21)/t11-,12+/m1/s1
InChIKeyDMEUYELZMILVKD-NEPJUHHUSA-N
MW300.41 g/mol
LogP2.84
Rot. Bonds6

About (3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2R)-2-pyridin-4-ylpropyl]butanamide

(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2R)-2-pyridin-4-ylpropyl]butanamide (PubChem CID 97329837) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is (3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2R)-2-pyridin-4-ylpropyl]butanamide.

Molecular Properties

Compound Name(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2R)-2-pyridin-4-ylpropyl]butanamide
PubChem CID97329837
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2R)-2-pyridin-4-ylpropyl]butanamide
SMILESCc1n[nH]c(C)c1[C@H](C)CC(=O)NC[C@H](C)c1ccncc1
InChIInChI=1S/C17H24N4O/c1-11(17-13(3)20-21-14(17)4)9-16(22)19-10-12(2)15-5-7-18-8-6-15/h5-8,11-12H,9-10H2,1-4H3,(H,19,22)(H,20,21)/t11-,12+/m1/s1
InChIKeyDMEUYELZMILVKD-NEPJUHHUSA-N
XLogP2.84
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2R)-2-pyridin-4-ylpropyl]butanamide?
The IUPAC name of (3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2R)-2-pyridin-4-ylpropyl]butanamide (CID 97329837) is (3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2R)-2-pyridin-4-ylpropyl]butanamide.
What is the SMILES notation for (3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2R)-2-pyridin-4-ylpropyl]butanamide?
The canonical SMILES for (3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2R)-2-pyridin-4-ylpropyl]butanamide is Cc1n[nH]c(C)c1[C@H](C)CC(=O)NC[C@H](C)c1ccncc1.
What is the InChIKey of (3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2R)-2-pyridin-4-ylpropyl]butanamide?
The InChIKey is DMEUYELZMILVKD-NEPJUHHUSA-N. The full InChI is InChI=1S/C17H24N4O/c1-11(17-13(3)20-21-14(17)4)9-16(22)19-10-12(2)15-5-7-18-8-6-15/h5-8,11-12H,9-10H2,1-4H3,(H,19,22)(H,20,21)/t11-,12+/m1/s1.
What are the key properties of (3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2R)-2-pyridin-4-ylpropyl]butanamide?
(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2R)-2-pyridin-4-ylpropyl]butanamide has a molecular weight of 300.41 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2R)-2-pyridin-4-ylpropyl]butanamide is sourced from PubChem (CID 97329837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).