(3R)-3-amino-3-(4-chloro-1-methylpyrazol-5-yl)propanamide

C7H11ClN4O — CID 130936273

IUPAC(3R)-3-amino-3-(4-chloro-1-methylpyrazol-5-yl)propanamide
SMILESCn1ncc(Cl)c1[C@H](N)CC(N)=O
InChIInChI=1S/C7H11ClN4O/c1-12-7(4(8)3-11-12)5(9)2-6(10)13/h3,5H,2,9H2,1H3,(H2,10,13)/t5-/m1/s1
InChIKeyUBJDQYMNAVGREM-RXMQYKEDSA-N
MW202.65 g/mol
LogP-0.05
Rot. Bonds3

About (3R)-3-amino-3-(4-chloro-1-methylpyrazol-5-yl)propanamide

(3R)-3-amino-3-(4-chloro-1-methylpyrazol-5-yl)propanamide (PubChem CID 130936273) has the molecular formula C7H11ClN4O and a molecular weight of 202.65 g/mol. Its IUPAC name is (3R)-3-amino-3-(4-chloro-1-methylpyrazol-5-yl)propanamide.

Molecular Properties

Compound Name(3R)-3-amino-3-(4-chloro-1-methylpyrazol-5-yl)propanamide
PubChem CID130936273
Molecular FormulaC7H11ClN4O
Molecular Weight202.65 g/mol
Exact Mass202.06
IUPAC Name(3R)-3-amino-3-(4-chloro-1-methylpyrazol-5-yl)propanamide
SMILESCn1ncc(Cl)c1[C@H](N)CC(N)=O
InChIInChI=1S/C7H11ClN4O/c1-12-7(4(8)3-11-12)5(9)2-6(10)13/h3,5H,2,9H2,1H3,(H2,10,13)/t5-/m1/s1
InChIKeyUBJDQYMNAVGREM-RXMQYKEDSA-N
XLogP-0.05
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.65
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-amino-3-(1,4-dimethylpyrazol-5-yl)propanamide
CID 131209567
3-amino-3-(4-bromo-1-methylpyrazol-5-yl)propanamide
CID 130586350
(3R)-3-amino-3-(4-bromo-1-methylpyrazol-5-yl)propanamide
CID 130586349
1-(4-chloro-1-methylpyrazol-5-yl)-2-ethylsulfanylethanamine
CID 114653440
1-(4-chloro-1-methylpyrazol-5-yl)-N',N'-diethylpropane-1,3-diamine
CID 114657125
2-(4-chloro-1-methylpyrazol-5-yl)propan-1-amine
CID 83827347
3-amino-1-(4-chloro-1-methylpyrazol-5-yl)propan-1-ol
CID 83829412
(3S)-3-amino-3-(5-bromo-3-methyltriazol-4-yl)propanamide
CID 130586346
3-bicyclo[3.1.0]hexanyl-(4-chloro-1-methylpyrazol-5-yl)methanamine
CID 105046647
3-amino-1-(4-chloro-1-methylpyrazol-5-yl)hexan-1-one
CID 114671020
1-(4-chloro-1-methylpyrazol-5-yl)-2,2-dimethylpropan-1-ol
CID 114635695
1-(4-chloro-1-methylpyrazol-5-yl)-2-methoxybutan-1-amine
CID 114660965

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(4-chloro-1-methylpyrazol-5-yl)propanamide?
The IUPAC name of (3R)-3-amino-3-(4-chloro-1-methylpyrazol-5-yl)propanamide (CID 130936273) is (3R)-3-amino-3-(4-chloro-1-methylpyrazol-5-yl)propanamide.
What is the SMILES notation for (3R)-3-amino-3-(4-chloro-1-methylpyrazol-5-yl)propanamide?
The canonical SMILES for (3R)-3-amino-3-(4-chloro-1-methylpyrazol-5-yl)propanamide is Cn1ncc(Cl)c1[C@H](N)CC(N)=O.
What is the InChIKey of (3R)-3-amino-3-(4-chloro-1-methylpyrazol-5-yl)propanamide?
The InChIKey is UBJDQYMNAVGREM-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H11ClN4O/c1-12-7(4(8)3-11-12)5(9)2-6(10)13/h3,5H,2,9H2,1H3,(H2,10,13)/t5-/m1/s1.
What are the key properties of (3R)-3-amino-3-(4-chloro-1-methylpyrazol-5-yl)propanamide?
(3R)-3-amino-3-(4-chloro-1-methylpyrazol-5-yl)propanamide has a molecular weight of 202.65 g/mol, XLogP of -0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(4-chloro-1-methylpyrazol-5-yl)propanamide is sourced from PubChem (CID 130936273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).