(3S)-3-amino-3-(1,4-dimethylpyrazol-5-yl)propanamide

C8H14N4O — CID 131209567

IUPAC(3S)-3-amino-3-(1,4-dimethylpyrazol-5-yl)propanamide
SMILESCc1cnn(C)c1[C@@H](N)CC(N)=O
InChIInChI=1S/C8H14N4O/c1-5-4-11-12(2)8(5)6(9)3-7(10)13/h4,6H,3,9H2,1-2H3,(H2,10,13)/t6-/m0/s1
InChIKeyWRDJAJVZIPSAFM-LURJTMIESA-N
MW182.23 g/mol
LogP-0.40
Rot. Bonds3

About (3S)-3-amino-3-(1,4-dimethylpyrazol-5-yl)propanamide

(3S)-3-amino-3-(1,4-dimethylpyrazol-5-yl)propanamide (PubChem CID 131209567) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is (3S)-3-amino-3-(1,4-dimethylpyrazol-5-yl)propanamide.

Molecular Properties

Compound Name(3S)-3-amino-3-(1,4-dimethylpyrazol-5-yl)propanamide
PubChem CID131209567
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name(3S)-3-amino-3-(1,4-dimethylpyrazol-5-yl)propanamide
SMILESCc1cnn(C)c1[C@@H](N)CC(N)=O
InChIInChI=1S/C8H14N4O/c1-5-4-11-12(2)8(5)6(9)3-7(10)13/h4,6H,3,9H2,1-2H3,(H2,10,13)/t6-/m0/s1
InChIKeyWRDJAJVZIPSAFM-LURJTMIESA-N
XLogP-0.40
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-amino-3-(4-chloro-1-methylpyrazol-5-yl)propanamide
CID 130936273
(3R)-3-amino-3-(4-bromo-1-methylpyrazol-5-yl)propanamide
CID 130586349
3-amino-3-(4-bromo-1-methylpyrazol-5-yl)propanamide
CID 130586350
(3R)-3-amino-3-(1,4-dimethylpyrazol-5-yl)propan-1-ol
CID 96739130
(1S)-1-(1,4-dimethylpyrazol-5-yl)ethanamine
CID 96637321
(1R)-1-(1,4-dimethylpyrazol-5-yl)ethanamine
CID 96637320
2-cyclopropyl-1-(1,4-dimethylpyrazol-5-yl)ethanamine
CID 130527432
(3S)-3-amino-3-(5-bromo-3-methyltriazol-4-yl)propanamide
CID 130586346
(3S)-3-amino-3-(1,5-dimethylpyrazol-4-yl)propanoic acid
CID 79583983
3-amino-1-(1,4-dimethylpyrazol-5-yl)-2-methylpropan-1-ol
CID 130604592
5-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-1-methylpyrazole-4-carboxylic acid
CID 110482803
2-(2,4-dichlorophenyl)-1-(1,4-dimethylpyrazol-5-yl)ethanamine
CID 112742305

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-3-(1,4-dimethylpyrazol-5-yl)propanamide?
The IUPAC name of (3S)-3-amino-3-(1,4-dimethylpyrazol-5-yl)propanamide (CID 131209567) is (3S)-3-amino-3-(1,4-dimethylpyrazol-5-yl)propanamide.
What is the SMILES notation for (3S)-3-amino-3-(1,4-dimethylpyrazol-5-yl)propanamide?
The canonical SMILES for (3S)-3-amino-3-(1,4-dimethylpyrazol-5-yl)propanamide is Cc1cnn(C)c1[C@@H](N)CC(N)=O.
What is the InChIKey of (3S)-3-amino-3-(1,4-dimethylpyrazol-5-yl)propanamide?
The InChIKey is WRDJAJVZIPSAFM-LURJTMIESA-N. The full InChI is InChI=1S/C8H14N4O/c1-5-4-11-12(2)8(5)6(9)3-7(10)13/h4,6H,3,9H2,1-2H3,(H2,10,13)/t6-/m0/s1.
What are the key properties of (3S)-3-amino-3-(1,4-dimethylpyrazol-5-yl)propanamide?
(3S)-3-amino-3-(1,4-dimethylpyrazol-5-yl)propanamide has a molecular weight of 182.23 g/mol, XLogP of -0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-3-(1,4-dimethylpyrazol-5-yl)propanamide is sourced from PubChem (CID 131209567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).