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

C17H24N4O — CID 97327898

IUPAC(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(1R)-1-pyridin-4-ylethyl]butanamide
SMILESCc1n[nH]c(C)c1[C@H](C)CC(=O)N(C)[C@H](C)c1ccncc1
InChIInChI=1S/C17H24N4O/c1-11(17-12(2)19-20-13(17)3)10-16(22)21(5)14(4)15-6-8-18-9-7-15/h6-9,11,14H,10H2,1-5H3,(H,19,20)/t11-,14-/m1/s1
InChIKeyXXYMYWQJKPLDGQ-BXUZGUMPSA-N
MW300.41 g/mol
LogP3.13
Rot. Bonds5

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

(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(1R)-1-pyridin-4-ylethyl]butanamide (PubChem CID 97327898) 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-methyl-N-[(1R)-1-pyridin-4-ylethyl]butanamide.

Molecular Properties

Compound Name(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(1R)-1-pyridin-4-ylethyl]butanamide
PubChem CID97327898
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(1R)-1-pyridin-4-ylethyl]butanamide
SMILESCc1n[nH]c(C)c1[C@H](C)CC(=O)N(C)[C@H](C)c1ccncc1
InChIInChI=1S/C17H24N4O/c1-11(17-12(2)19-20-13(17)3)10-16(22)21(5)14(4)15-6-8-18-9-7-15/h6-9,11,14H,10H2,1-5H3,(H,19,20)/t11-,14-/m1/s1
InChIKeyXXYMYWQJKPLDGQ-BXUZGUMPSA-N
XLogP3.13
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 53.13
H-Bond Donors ≤ 51
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-methyl-N-[(1R)-1-pyridin-4-ylethyl]butanamide?
The IUPAC name of (3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(1R)-1-pyridin-4-ylethyl]butanamide (CID 97327898) is (3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(1R)-1-pyridin-4-ylethyl]butanamide.
What is the SMILES notation for (3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(1R)-1-pyridin-4-ylethyl]butanamide?
The canonical SMILES for (3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(1R)-1-pyridin-4-ylethyl]butanamide is Cc1n[nH]c(C)c1[C@H](C)CC(=O)N(C)[C@H](C)c1ccncc1.
What is the InChIKey of (3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(1R)-1-pyridin-4-ylethyl]butanamide?
The InChIKey is XXYMYWQJKPLDGQ-BXUZGUMPSA-N. The full InChI is InChI=1S/C17H24N4O/c1-11(17-12(2)19-20-13(17)3)10-16(22)21(5)14(4)15-6-8-18-9-7-15/h6-9,11,14H,10H2,1-5H3,(H,19,20)/t11-,14-/m1/s1.
What are the key properties of (3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(1R)-1-pyridin-4-ylethyl]butanamide?
(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(1R)-1-pyridin-4-ylethyl]butanamide has a molecular weight of 300.41 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 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-methyl-N-[(1R)-1-pyridin-4-ylethyl]butanamide is sourced from PubChem (CID 97327898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).