(2S)-1-(5-amino-4-chloro-1-phenylpyrazol-3-yl)propan-2-ol

C12H14ClN3O — CID 144628866

IUPAC(2S)-1-(5-amino-4-chloro-1-phenylpyrazol-3-yl)propan-2-ol
SMILESC[C@H](O)Cc1nn(-c2ccccc2)c(N)c1Cl
InChIInChI=1S/C12H14ClN3O/c1-8(17)7-10-11(13)12(14)16(15-10)9-5-3-2-4-6-9/h2-6,8,17H,7,14H2,1H3/t8-/m0/s1
InChIKeyZDPAHLNIJMWYEL-QMMMGPOBSA-N
MW251.72 g/mol
LogP2.03
Rot. Bonds3

About (2S)-1-(5-amino-4-chloro-1-phenylpyrazol-3-yl)propan-2-ol

(2S)-1-(5-amino-4-chloro-1-phenylpyrazol-3-yl)propan-2-ol (PubChem CID 144628866) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is (2S)-1-(5-amino-4-chloro-1-phenylpyrazol-3-yl)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(5-amino-4-chloro-1-phenylpyrazol-3-yl)propan-2-ol
PubChem CID144628866
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC Name(2S)-1-(5-amino-4-chloro-1-phenylpyrazol-3-yl)propan-2-ol
SMILESC[C@H](O)Cc1nn(-c2ccccc2)c(N)c1Cl
InChIInChI=1S/C12H14ClN3O/c1-8(17)7-10-11(13)12(14)16(15-10)9-5-3-2-4-6-9/h2-6,8,17H,7,14H2,1H3/t8-/m0/s1
InChIKeyZDPAHLNIJMWYEL-QMMMGPOBSA-N
XLogP2.03
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(5-amino-4-chloro-1-phenylpyrazol-3-yl)propan-2-ol?
The IUPAC name of (2S)-1-(5-amino-4-chloro-1-phenylpyrazol-3-yl)propan-2-ol (CID 144628866) is (2S)-1-(5-amino-4-chloro-1-phenylpyrazol-3-yl)propan-2-ol.
What is the SMILES notation for (2S)-1-(5-amino-4-chloro-1-phenylpyrazol-3-yl)propan-2-ol?
The canonical SMILES for (2S)-1-(5-amino-4-chloro-1-phenylpyrazol-3-yl)propan-2-ol is C[C@H](O)Cc1nn(-c2ccccc2)c(N)c1Cl.
What is the InChIKey of (2S)-1-(5-amino-4-chloro-1-phenylpyrazol-3-yl)propan-2-ol?
The InChIKey is ZDPAHLNIJMWYEL-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H14ClN3O/c1-8(17)7-10-11(13)12(14)16(15-10)9-5-3-2-4-6-9/h2-6,8,17H,7,14H2,1H3/t8-/m0/s1.
What are the key properties of (2S)-1-(5-amino-4-chloro-1-phenylpyrazol-3-yl)propan-2-ol?
(2S)-1-(5-amino-4-chloro-1-phenylpyrazol-3-yl)propan-2-ol has a molecular weight of 251.72 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(5-amino-4-chloro-1-phenylpyrazol-3-yl)propan-2-ol is sourced from PubChem (CID 144628866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).