(2R)-2-(4-chloro-3-methylpyrazol-1-yl)propan-1-amine

C7H12ClN3 — CID 42576127

IUPAC(2R)-2-(4-chloro-3-methylpyrazol-1-yl)propan-1-amine
SMILESCc1nn([C@H](C)CN)cc1Cl
InChIInChI=1S/C7H12ClN3/c1-5(3-9)11-4-7(8)6(2)10-11/h4-5H,3,9H2,1-2H3/t5-/m1/s1
InChIKeyMODVCVYUHFZJJT-RXMQYKEDSA-N
MW173.65 g/mol
LogP1.36
Rot. Bonds2

About (2R)-2-(4-chloro-3-methylpyrazol-1-yl)propan-1-amine

(2R)-2-(4-chloro-3-methylpyrazol-1-yl)propan-1-amine (PubChem CID 42576127) has the molecular formula C7H12ClN3 and a molecular weight of 173.65 g/mol. Its IUPAC name is (2R)-2-(4-chloro-3-methylpyrazol-1-yl)propan-1-amine.

Molecular Properties

Compound Name(2R)-2-(4-chloro-3-methylpyrazol-1-yl)propan-1-amine
PubChem CID42576127
Molecular FormulaC7H12ClN3
Molecular Weight173.65 g/mol
Exact Mass173.07
IUPAC Name(2R)-2-(4-chloro-3-methylpyrazol-1-yl)propan-1-amine
SMILESCc1nn([C@H](C)CN)cc1Cl
InChIInChI=1S/C7H12ClN3/c1-5(3-9)11-4-7(8)6(2)10-11/h4-5H,3,9H2,1-2H3/t5-/m1/s1
InChIKeyMODVCVYUHFZJJT-RXMQYKEDSA-N
XLogP1.36
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.65
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chloro-3-methylpyrazol-1-yl)pentan-1-amine
CID 19619815
3-(4-chloro-3-methylpyrazol-1-yl)-N-ethyl-2-methylbutan-1-amine
CID 81019736
(2S)-2-(4-chloro-3-methylpyrazol-1-yl)propanoate
CID 7026082
4-(4-chloro-3-methylpyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 64708146
(2S)-2-(4-methylpyrazol-1-yl)propan-1-amine
CID 42576130
4-chloro-1-(4-methylpentan-2-yl)pyrazol-3-amine
CID 130519474
(2S)-2-(4-chloro-5-methylpyrazol-1-yl)propan-1-amine
CID 42576142
4-chloro-1-(2-fluoroethyl)-3-methylpyrazole
CID 97182111
4-chloro-1-(3-methylbutan-2-yl)pyrazol-3-amine
CID 126999305
[2-[(4-chloro-3-methylpyrazol-1-yl)methyl]-4-fluorophenyl]methanamine
CID 64766127
1-[2-bromo-4-(4-chloro-3-methylpyrazol-1-yl)phenyl]propan-2-amine
CID 114061028
4-(4-chloro-3-methylpyrazol-1-yl)but-2-en-1-amine
CID 77110699

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chloro-3-methylpyrazol-1-yl)propan-1-amine?
The IUPAC name of (2R)-2-(4-chloro-3-methylpyrazol-1-yl)propan-1-amine (CID 42576127) is (2R)-2-(4-chloro-3-methylpyrazol-1-yl)propan-1-amine.
What is the SMILES notation for (2R)-2-(4-chloro-3-methylpyrazol-1-yl)propan-1-amine?
The canonical SMILES for (2R)-2-(4-chloro-3-methylpyrazol-1-yl)propan-1-amine is Cc1nn([C@H](C)CN)cc1Cl.
What is the InChIKey of (2R)-2-(4-chloro-3-methylpyrazol-1-yl)propan-1-amine?
The InChIKey is MODVCVYUHFZJJT-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H12ClN3/c1-5(3-9)11-4-7(8)6(2)10-11/h4-5H,3,9H2,1-2H3/t5-/m1/s1.
What are the key properties of (2R)-2-(4-chloro-3-methylpyrazol-1-yl)propan-1-amine?
(2R)-2-(4-chloro-3-methylpyrazol-1-yl)propan-1-amine has a molecular weight of 173.65 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chloro-3-methylpyrazol-1-yl)propan-1-amine is sourced from PubChem (CID 42576127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).