N-(3-hydroxy-3-phenylpropyl)-N-methyl-5-propyl-1H-pyrazole-3-carboxamide

C17H23N3O2 — CID 46996324

IUPACN-(3-hydroxy-3-phenylpropyl)-N-methyl-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)N(C)CCC(O)c2ccccc2)n[nH]1
InChIInChI=1S/C17H23N3O2/c1-3-7-14-12-15(19-18-14)17(22)20(2)11-10-16(21)13-8-5-4-6-9-13/h4-6,8-9,12,16,21H,3,7,10-11H2,1-2H3,(H,18,19)
InChIKeyRBMSJICAHVCAKS-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.56
Rot. Bonds7

About N-(3-hydroxy-3-phenylpropyl)-N-methyl-5-propyl-1H-pyrazole-3-carboxamide

N-(3-hydroxy-3-phenylpropyl)-N-methyl-5-propyl-1H-pyrazole-3-carboxamide (PubChem CID 46996324) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-(3-hydroxy-3-phenylpropyl)-N-methyl-5-propyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-phenylpropyl)-N-methyl-5-propyl-1H-pyrazole-3-carboxamide
PubChem CID46996324
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-(3-hydroxy-3-phenylpropyl)-N-methyl-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)N(C)CCC(O)c2ccccc2)n[nH]1
InChIInChI=1S/C17H23N3O2/c1-3-7-14-12-15(19-18-14)17(22)20(2)11-10-16(21)13-8-5-4-6-9-13/h4-6,8-9,12,16,21H,3,7,10-11H2,1-2H3,(H,18,19)
InChIKeyRBMSJICAHVCAKS-UHFFFAOYSA-N
XLogP2.56
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-phenylpropyl)-N-methyl-5-propyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(3-hydroxy-3-phenylpropyl)-N-methyl-5-propyl-1H-pyrazole-3-carboxamide (CID 46996324) is N-(3-hydroxy-3-phenylpropyl)-N-methyl-5-propyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(3-hydroxy-3-phenylpropyl)-N-methyl-5-propyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(3-hydroxy-3-phenylpropyl)-N-methyl-5-propyl-1H-pyrazole-3-carboxamide is CCCc1cc(C(=O)N(C)CCC(O)c2ccccc2)n[nH]1.
What is the InChIKey of N-(3-hydroxy-3-phenylpropyl)-N-methyl-5-propyl-1H-pyrazole-3-carboxamide?
The InChIKey is RBMSJICAHVCAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-3-7-14-12-15(19-18-14)17(22)20(2)11-10-16(21)13-8-5-4-6-9-13/h4-6,8-9,12,16,21H,3,7,10-11H2,1-2H3,(H,18,19).
What are the key properties of N-(3-hydroxy-3-phenylpropyl)-N-methyl-5-propyl-1H-pyrazole-3-carboxamide?
N-(3-hydroxy-3-phenylpropyl)-N-methyl-5-propyl-1H-pyrazole-3-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-3-phenylpropyl)-N-methyl-5-propyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 46996324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).