(2R)-2-amino-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide

C10H18N4O — CID 79013070

IUPAC(2R)-2-amino-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide
SMILESCc1[nH]ncc1CNC(=O)[C@H](N)C(C)C
InChIInChI=1S/C10H18N4O/c1-6(2)9(11)10(15)12-4-8-5-13-14-7(8)3/h5-6,9H,4,11H2,1-3H3,(H,12,15)(H,13,14)/t9-/m1/s1
InChIKeyJVIIZYMWVFEWQX-SECBINFHSA-N
MW210.28 g/mol
LogP0.32
Rot. Bonds4

About (2R)-2-amino-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide

(2R)-2-amino-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide (PubChem CID 79013070) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is (2R)-2-amino-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide.

Molecular Properties

Compound Name(2R)-2-amino-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide
PubChem CID79013070
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name(2R)-2-amino-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide
SMILESCc1[nH]ncc1CNC(=O)[C@H](N)C(C)C
InChIInChI=1S/C10H18N4O/c1-6(2)9(11)10(15)12-4-8-5-13-14-7(8)3/h5-6,9H,4,11H2,1-3H3,(H,12,15)(H,13,14)/t9-/m1/s1
InChIKeyJVIIZYMWVFEWQX-SECBINFHSA-N
XLogP0.32
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentanamide
CID 60767988
2-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-phenylacetamide
CID 54896815
3,3,3-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)propanamide
CID 103310272
3-amino-2-methoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide
CID 106112236
3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide
CID 60767372
(2S)-2-amino-N-[2-[(4-ethyl-1H-pyrazol-5-yl)amino]-2-oxoethyl]-3-methylbutanamide
CID 104619280
2-amino-2-(1-methylpyrazol-4-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide
CID 113279847
(2R)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-thiophen-2-ylpropanamide
CID 99809710
(2R)-2-amino-3-methyl-N-(1H-pyrazol-4-ylmethyl)butanamide
CID 79012897
(2R)-2-amino-N-(1H-imidazol-5-ylmethyl)-3-methylbutanamide
CID 79014032
2,2-dimethyl-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]-3-oxopropanoic acid
CID 82821092
2-methyl-4-[(5-methyl-1H-pyrazol-4-yl)methylamino]-4-oxo-2-propan-2-ylbutanoic acid
CID 54896845

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide?
The IUPAC name of (2R)-2-amino-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide (CID 79013070) is (2R)-2-amino-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide.
What is the SMILES notation for (2R)-2-amino-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide?
The canonical SMILES for (2R)-2-amino-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide is Cc1[nH]ncc1CNC(=O)[C@H](N)C(C)C.
What is the InChIKey of (2R)-2-amino-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide?
The InChIKey is JVIIZYMWVFEWQX-SECBINFHSA-N. The full InChI is InChI=1S/C10H18N4O/c1-6(2)9(11)10(15)12-4-8-5-13-14-7(8)3/h5-6,9H,4,11H2,1-3H3,(H,12,15)(H,13,14)/t9-/m1/s1.
What are the key properties of (2R)-2-amino-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide?
(2R)-2-amino-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide has a molecular weight of 210.28 g/mol, XLogP of 0.32, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide is sourced from PubChem (CID 79013070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).