(2S)-1-[methyl-[(1-phenylpyrazol-3-yl)methyl]amino]-3-pyrazol-1-ylpropan-2-ol

C17H21N5O — CID 94032417

IUPAC(2S)-1-[methyl-[(1-phenylpyrazol-3-yl)methyl]amino]-3-pyrazol-1-ylpropan-2-ol
SMILESCN(Cc1ccn(-c2ccccc2)n1)C[C@H](O)Cn1cccn1
InChIInChI=1S/C17H21N5O/c1-20(13-17(23)14-21-10-5-9-18-21)12-15-8-11-22(19-15)16-6-3-2-4-7-16/h2-11,17,23H,12-14H2,1H3/t17-/m0/s1
InChIKeyKSFPPYZRSPUJFR-KRWDZBQOSA-N
MW311.39 g/mol
LogP1.56
Rot. Bonds7

About (2S)-1-[methyl-[(1-phenylpyrazol-3-yl)methyl]amino]-3-pyrazol-1-ylpropan-2-ol

(2S)-1-[methyl-[(1-phenylpyrazol-3-yl)methyl]amino]-3-pyrazol-1-ylpropan-2-ol (PubChem CID 94032417) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is (2S)-1-[methyl-[(1-phenylpyrazol-3-yl)methyl]amino]-3-pyrazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[methyl-[(1-phenylpyrazol-3-yl)methyl]amino]-3-pyrazol-1-ylpropan-2-ol
PubChem CID94032417
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name(2S)-1-[methyl-[(1-phenylpyrazol-3-yl)methyl]amino]-3-pyrazol-1-ylpropan-2-ol
SMILESCN(Cc1ccn(-c2ccccc2)n1)C[C@H](O)Cn1cccn1
InChIInChI=1S/C17H21N5O/c1-20(13-17(23)14-21-10-5-9-18-21)12-15-8-11-22(19-15)16-6-3-2-4-7-16/h2-11,17,23H,12-14H2,1H3/t17-/m0/s1
InChIKeyKSFPPYZRSPUJFR-KRWDZBQOSA-N
XLogP1.56
TPSA59.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[methyl-[(1-phenylpyrazol-3-yl)methyl]amino]-3-pyrazol-1-ylpropan-2-ol?
The IUPAC name of (2S)-1-[methyl-[(1-phenylpyrazol-3-yl)methyl]amino]-3-pyrazol-1-ylpropan-2-ol (CID 94032417) is (2S)-1-[methyl-[(1-phenylpyrazol-3-yl)methyl]amino]-3-pyrazol-1-ylpropan-2-ol.
What is the SMILES notation for (2S)-1-[methyl-[(1-phenylpyrazol-3-yl)methyl]amino]-3-pyrazol-1-ylpropan-2-ol?
The canonical SMILES for (2S)-1-[methyl-[(1-phenylpyrazol-3-yl)methyl]amino]-3-pyrazol-1-ylpropan-2-ol is CN(Cc1ccn(-c2ccccc2)n1)C[C@H](O)Cn1cccn1.
What is the InChIKey of (2S)-1-[methyl-[(1-phenylpyrazol-3-yl)methyl]amino]-3-pyrazol-1-ylpropan-2-ol?
The InChIKey is KSFPPYZRSPUJFR-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H21N5O/c1-20(13-17(23)14-21-10-5-9-18-21)12-15-8-11-22(19-15)16-6-3-2-4-7-16/h2-11,17,23H,12-14H2,1H3/t17-/m0/s1.
What are the key properties of (2S)-1-[methyl-[(1-phenylpyrazol-3-yl)methyl]amino]-3-pyrazol-1-ylpropan-2-ol?
(2S)-1-[methyl-[(1-phenylpyrazol-3-yl)methyl]amino]-3-pyrazol-1-ylpropan-2-ol has a molecular weight of 311.39 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[methyl-[(1-phenylpyrazol-3-yl)methyl]amino]-3-pyrazol-1-ylpropan-2-ol is sourced from PubChem (CID 94032417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).