(2S)-2-hydroxy-3-methyl-N-[(2S)-1-[[5-(2-methyl-1-phenylpropan-2-yl)-1H-pyrazol-3-yl]amino]-1-oxopropan-2-yl]butanamide

C21H30N4O3 — CID 59385434

IUPAC(2S)-2-hydroxy-3-methyl-N-[(2S)-1-[[5-(2-methyl-1-phenylpropan-2-yl)-1H-pyrazol-3-yl]amino]-1-oxopropan-2-yl]butanamide
SMILESCC(C)[C@H](O)C(=O)N[C@@H](C)C(=O)Nc1cc(C(C)(C)Cc2ccccc2)[nH]n1
InChIInChI=1S/C21H30N4O3/c1-13(2)18(26)20(28)22-14(3)19(27)23-17-11-16(24-25-17)21(4,5)12-15-9-7-6-8-10-15/h6-11,13-14,18,26H,12H2,1-5H3,(H,22,28)(H2,23,24,25,27)/t14-,18-/m0/s1
InChIKeyDVHXZEKAMAGERI-KSSFIOAISA-N
MW386.50 g/mol
LogP2.39
Rot. Bonds8

About (2S)-2-hydroxy-3-methyl-N-[(2S)-1-[[5-(2-methyl-1-phenylpropan-2-yl)-1H-pyrazol-3-yl]amino]-1-oxopropan-2-yl]butanamide

(2S)-2-hydroxy-3-methyl-N-[(2S)-1-[[5-(2-methyl-1-phenylpropan-2-yl)-1H-pyrazol-3-yl]amino]-1-oxopropan-2-yl]butanamide (PubChem CID 59385434) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is (2S)-2-hydroxy-3-methyl-N-[(2S)-1-[[5-(2-methyl-1-phenylpropan-2-yl)-1H-pyrazol-3-yl]amino]-1-oxopropan-2-yl]butanamide.

Molecular Properties

Compound Name(2S)-2-hydroxy-3-methyl-N-[(2S)-1-[[5-(2-methyl-1-phenylpropan-2-yl)-1H-pyrazol-3-yl]amino]-1-oxopropan-2-yl]butanamide
PubChem CID59385434
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC Name(2S)-2-hydroxy-3-methyl-N-[(2S)-1-[[5-(2-methyl-1-phenylpropan-2-yl)-1H-pyrazol-3-yl]amino]-1-oxopropan-2-yl]butanamide
SMILESCC(C)[C@H](O)C(=O)N[C@@H](C)C(=O)Nc1cc(C(C)(C)Cc2ccccc2)[nH]n1
InChIInChI=1S/C21H30N4O3/c1-13(2)18(26)20(28)22-14(3)19(27)23-17-11-16(24-25-17)21(4,5)12-15-9-7-6-8-10-15/h6-11,13-14,18,26H,12H2,1-5H3,(H,22,28)(H2,23,24,25,27)/t14-,18-/m0/s1
InChIKeyDVHXZEKAMAGERI-KSSFIOAISA-N
XLogP2.39
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 52.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2S)-2-hydroxy-3-methyl-N-[(2S)-1-[[5-(2-methyl-1-phenylpropan-2-yl)-1H-pyrazol-3-yl]amino]-1-oxopropan-2-yl]butanamide with MolForge

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Related Compounds

2-[(2-hydroxy-3-methylbutanoyl)amino]-N-(5-phenyl-1H-pyrazol-3-yl)pentanamide
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N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(carbamoylamino)propanamide
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(2S)-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-[[(2S)-2-cyclohexyl-2-hydroxyacetyl]amino]propanamide
CID 142992313
N-(5-tert-butyl-1H-pyrazol-3-yl)-2,3-dimethylbutanamide
CID 113235621
benzene;N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(methanesulfonamido)propanamide
CID 68895013
N-[1-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 47067682
(3S)-N-[(2S)-1-oxo-1-[[5-(2-phenylpropan-2-yl)-1H-pyrazol-3-yl]amino]propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 59385405
N-(5-tert-butyl-1H-pyrazol-3-yl)-2,2-dichloroacetamide
CID 13477003
2-(aminomethyl)-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-methylbutanamide
CID 113433621
2-(benzylsulfonylamino)-N-(5-tert-butyl-1H-pyrazol-3-yl)pentanamide
CID 91331506
tert-butyl N-[(2S)-1-oxo-1-[(5-pyridin-4-yl-1H-pyrazol-3-yl)amino]propan-2-yl]carbamate
CID 95309662

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-3-methyl-N-[(2S)-1-[[5-(2-methyl-1-phenylpropan-2-yl)-1H-pyrazol-3-yl]amino]-1-oxopropan-2-yl]butanamide?
The IUPAC name of (2S)-2-hydroxy-3-methyl-N-[(2S)-1-[[5-(2-methyl-1-phenylpropan-2-yl)-1H-pyrazol-3-yl]amino]-1-oxopropan-2-yl]butanamide (CID 59385434) is (2S)-2-hydroxy-3-methyl-N-[(2S)-1-[[5-(2-methyl-1-phenylpropan-2-yl)-1H-pyrazol-3-yl]amino]-1-oxopropan-2-yl]butanamide.
What is the SMILES notation for (2S)-2-hydroxy-3-methyl-N-[(2S)-1-[[5-(2-methyl-1-phenylpropan-2-yl)-1H-pyrazol-3-yl]amino]-1-oxopropan-2-yl]butanamide?
The canonical SMILES for (2S)-2-hydroxy-3-methyl-N-[(2S)-1-[[5-(2-methyl-1-phenylpropan-2-yl)-1H-pyrazol-3-yl]amino]-1-oxopropan-2-yl]butanamide is CC(C)[C@H](O)C(=O)N[C@@H](C)C(=O)Nc1cc(C(C)(C)Cc2ccccc2)[nH]n1.
What is the InChIKey of (2S)-2-hydroxy-3-methyl-N-[(2S)-1-[[5-(2-methyl-1-phenylpropan-2-yl)-1H-pyrazol-3-yl]amino]-1-oxopropan-2-yl]butanamide?
The InChIKey is DVHXZEKAMAGERI-KSSFIOAISA-N. The full InChI is InChI=1S/C21H30N4O3/c1-13(2)18(26)20(28)22-14(3)19(27)23-17-11-16(24-25-17)21(4,5)12-15-9-7-6-8-10-15/h6-11,13-14,18,26H,12H2,1-5H3,(H,22,28)(H2,23,24,25,27)/t14-,18-/m0/s1.
What are the key properties of (2S)-2-hydroxy-3-methyl-N-[(2S)-1-[[5-(2-methyl-1-phenylpropan-2-yl)-1H-pyrazol-3-yl]amino]-1-oxopropan-2-yl]butanamide?
(2S)-2-hydroxy-3-methyl-N-[(2S)-1-[[5-(2-methyl-1-phenylpropan-2-yl)-1H-pyrazol-3-yl]amino]-1-oxopropan-2-yl]butanamide has a molecular weight of 386.50 g/mol, XLogP of 2.39, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-3-methyl-N-[(2S)-1-[[5-(2-methyl-1-phenylpropan-2-yl)-1H-pyrazol-3-yl]amino]-1-oxopropan-2-yl]butanamide is sourced from PubChem (CID 59385434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).