3-amino-3-methyl-N-(5-methyl-1H-pyrazol-4-yl)butanamide

C9H16N4O — CID 83618200

IUPAC3-amino-3-methyl-N-(5-methyl-1H-pyrazol-4-yl)butanamide
SMILESCc1[nH]ncc1NC(=O)CC(C)(C)N
InChIInChI=1S/C9H16N4O/c1-6-7(5-11-13-6)12-8(14)4-9(2,3)10/h5H,4,10H2,1-3H3,(H,11,13)(H,12,14)
InChIKeyWQRVSDPZXXCSDG-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.78
Rot. Bonds3

About 3-amino-3-methyl-N-(5-methyl-1H-pyrazol-4-yl)butanamide

3-amino-3-methyl-N-(5-methyl-1H-pyrazol-4-yl)butanamide (PubChem CID 83618200) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-amino-3-methyl-N-(5-methyl-1H-pyrazol-4-yl)butanamide.

Molecular Properties

Compound Name3-amino-3-methyl-N-(5-methyl-1H-pyrazol-4-yl)butanamide
PubChem CID83618200
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name3-amino-3-methyl-N-(5-methyl-1H-pyrazol-4-yl)butanamide
SMILESCc1[nH]ncc1NC(=O)CC(C)(C)N
InChIInChI=1S/C9H16N4O/c1-6-7(5-11-13-6)12-8(14)4-9(2,3)10/h5H,4,10H2,1-3H3,(H,11,13)(H,12,14)
InChIKeyWQRVSDPZXXCSDG-UHFFFAOYSA-N
XLogP0.78
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)butanamide
CID 64678472
2-methyl-2-(methylamino)-N-(5-methyl-1H-pyrazol-4-yl)propanamide
CID 83618057
1,1-dimethyl-3-(5-methyl-1H-pyrazol-4-yl)urea
CID 20784611
2-methyl-N-(5-methyl-1H-pyrazol-4-yl)propanamide
CID 130719724
methyl 4-(3,3-dimethylbutanoylamino)-1H-pyrazole-5-carboxylate
CID 154947792
2-(3-chlorophenyl)-N-(5-methyl-1H-pyrazol-4-yl)acetamide
CID 154858274
3-amino-N-(2-iodophenyl)-3-methylbutanamide
CID 64684765
3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-methylbutanamide
CID 113433629
3-amino-N-(3-fluoro-2-methylphenyl)-3-methylbutanamide
CID 64678036
2-[(3-amino-3-methylbutanoyl)amino]-6-methylbenzoic acid
CID 64676890
2-(4-acetamidotriazol-1-yl)-N-(5-methyl-1H-pyrazol-4-yl)acetamide
CID 112521770
(2S)-2-amino-N-(5-methyl-1H-pyrazol-4-yl)-3-phenylpropanamide
CID 110837650

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-methyl-N-(5-methyl-1H-pyrazol-4-yl)butanamide?
The IUPAC name of 3-amino-3-methyl-N-(5-methyl-1H-pyrazol-4-yl)butanamide (CID 83618200) is 3-amino-3-methyl-N-(5-methyl-1H-pyrazol-4-yl)butanamide.
What is the SMILES notation for 3-amino-3-methyl-N-(5-methyl-1H-pyrazol-4-yl)butanamide?
The canonical SMILES for 3-amino-3-methyl-N-(5-methyl-1H-pyrazol-4-yl)butanamide is Cc1[nH]ncc1NC(=O)CC(C)(C)N.
What is the InChIKey of 3-amino-3-methyl-N-(5-methyl-1H-pyrazol-4-yl)butanamide?
The InChIKey is WQRVSDPZXXCSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-6-7(5-11-13-6)12-8(14)4-9(2,3)10/h5H,4,10H2,1-3H3,(H,11,13)(H,12,14).
What are the key properties of 3-amino-3-methyl-N-(5-methyl-1H-pyrazol-4-yl)butanamide?
3-amino-3-methyl-N-(5-methyl-1H-pyrazol-4-yl)butanamide has a molecular weight of 196.25 g/mol, XLogP of 0.78, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-methyl-N-(5-methyl-1H-pyrazol-4-yl)butanamide is sourced from PubChem (CID 83618200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).