N-[(2R)-1-hydroxy-3-phenylmethoxypropan-2-yl]-5-propyl-1H-pyrazole-3-carboxamide

C17H23N3O3 — CID 46993131

IUPACN-[(2R)-1-hydroxy-3-phenylmethoxypropan-2-yl]-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)N[C@H](CO)COCc2ccccc2)n[nH]1
InChIInChI=1S/C17H23N3O3/c1-2-6-14-9-16(20-19-14)17(22)18-15(10-21)12-23-11-13-7-4-3-5-8-13/h3-5,7-9,15,21H,2,6,10-12H2,1H3,(H,18,22)(H,19,20)/t15-/m1/s1
InChIKeyWYMILHMCVMYUBE-OAHLLOKOSA-N
MW317.39 g/mol
LogP1.67
Rot. Bonds9

About N-[(2R)-1-hydroxy-3-phenylmethoxypropan-2-yl]-5-propyl-1H-pyrazole-3-carboxamide

N-[(2R)-1-hydroxy-3-phenylmethoxypropan-2-yl]-5-propyl-1H-pyrazole-3-carboxamide (PubChem CID 46993131) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[(2R)-1-hydroxy-3-phenylmethoxypropan-2-yl]-5-propyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxy-3-phenylmethoxypropan-2-yl]-5-propyl-1H-pyrazole-3-carboxamide
PubChem CID46993131
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-[(2R)-1-hydroxy-3-phenylmethoxypropan-2-yl]-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)N[C@H](CO)COCc2ccccc2)n[nH]1
InChIInChI=1S/C17H23N3O3/c1-2-6-14-9-16(20-19-14)17(22)18-15(10-21)12-23-11-13-7-4-3-5-8-13/h3-5,7-9,15,21H,2,6,10-12H2,1H3,(H,18,22)(H,19,20)/t15-/m1/s1
InChIKeyWYMILHMCVMYUBE-OAHLLOKOSA-N
XLogP1.67
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxy-3-phenylmethoxypropan-2-yl]-5-propyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(2R)-1-hydroxy-3-phenylmethoxypropan-2-yl]-5-propyl-1H-pyrazole-3-carboxamide (CID 46993131) is N-[(2R)-1-hydroxy-3-phenylmethoxypropan-2-yl]-5-propyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(2R)-1-hydroxy-3-phenylmethoxypropan-2-yl]-5-propyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(2R)-1-hydroxy-3-phenylmethoxypropan-2-yl]-5-propyl-1H-pyrazole-3-carboxamide is CCCc1cc(C(=O)N[C@H](CO)COCc2ccccc2)n[nH]1.
What is the InChIKey of N-[(2R)-1-hydroxy-3-phenylmethoxypropan-2-yl]-5-propyl-1H-pyrazole-3-carboxamide?
The InChIKey is WYMILHMCVMYUBE-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-2-6-14-9-16(20-19-14)17(22)18-15(10-21)12-23-11-13-7-4-3-5-8-13/h3-5,7-9,15,21H,2,6,10-12H2,1H3,(H,18,22)(H,19,20)/t15-/m1/s1.
What are the key properties of N-[(2R)-1-hydroxy-3-phenylmethoxypropan-2-yl]-5-propyl-1H-pyrazole-3-carboxamide?
N-[(2R)-1-hydroxy-3-phenylmethoxypropan-2-yl]-5-propyl-1H-pyrazole-3-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 1.67, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxy-3-phenylmethoxypropan-2-yl]-5-propyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 46993131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).