(2S)-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-methylbutanamide

C14H25N3O — CID 94185912

IUPAC(2S)-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-methylbutanamide
SMILESCC[C@H](C)C(=O)NC[C@H](C)Cn1nc(C)cc1C
InChIInChI=1S/C14H25N3O/c1-6-11(3)14(18)15-8-10(2)9-17-13(5)7-12(4)16-17/h7,10-11H,6,8-9H2,1-5H3,(H,15,18)/t10-,11-/m0/s1
InChIKeyAQQXRDSNPJGOSM-QWRGUYRKSA-N
MW251.37 g/mol
LogP2.30
Rot. Bonds6

About (2S)-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-methylbutanamide

(2S)-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-methylbutanamide (PubChem CID 94185912) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is (2S)-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-methylbutanamide.

Molecular Properties

Compound Name(2S)-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-methylbutanamide
PubChem CID94185912
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name(2S)-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-methylbutanamide
SMILESCC[C@H](C)C(=O)NC[C@H](C)Cn1nc(C)cc1C
InChIInChI=1S/C14H25N3O/c1-6-11(3)14(18)15-8-10(2)9-17-13(5)7-12(4)16-17/h7,10-11H,6,8-9H2,1-5H3,(H,15,18)/t10-,11-/m0/s1
InChIKeyAQQXRDSNPJGOSM-QWRGUYRKSA-N
XLogP2.30
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-methylsulfonylpropanamide
CID 94028953
(2R)-N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-methylsulfonylpropanamide
CID 94028952
(E)-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-methylpent-2-enamide
CID 94186074
tert-butyl N-[(2R)-1-[[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]-1-oxopropan-2-yl]carbamate
CID 94494165
1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(1-hydroxypentan-3-yl)urea
CID 111454622
N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-(2-methylphenyl)acetamide
CID 94181374
N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-thiophen-3-ylpropanamide
CID 94028959
N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]morpholine-4-carboxamide
CID 94031608
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2,6-dimethylpyridine-3-carboxamide
CID 47057757
1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(3-hydroxy-4-methylpentyl)urea
CID 111504956
3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62447780
(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanoic acid
CID 845395

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-methylbutanamide?
The IUPAC name of (2S)-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-methylbutanamide (CID 94185912) is (2S)-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-methylbutanamide.
What is the SMILES notation for (2S)-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-methylbutanamide?
The canonical SMILES for (2S)-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-methylbutanamide is CC[C@H](C)C(=O)NC[C@H](C)Cn1nc(C)cc1C.
What is the InChIKey of (2S)-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-methylbutanamide?
The InChIKey is AQQXRDSNPJGOSM-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H25N3O/c1-6-11(3)14(18)15-8-10(2)9-17-13(5)7-12(4)16-17/h7,10-11H,6,8-9H2,1-5H3,(H,15,18)/t10-,11-/m0/s1.
What are the key properties of (2S)-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-methylbutanamide?
(2S)-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-methylbutanamide has a molecular weight of 251.37 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-methylbutanamide is sourced from PubChem (CID 94185912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).