N,N-bis(2-hydroxypropyl)-3-phenyl-1H-pyrazole-5-carboxamide

C16H21N3O3 — CID 71713626

IUPACN,N-bis(2-hydroxypropyl)-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCC(O)CN(CC(C)O)C(=O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C16H21N3O3/c1-11(20)9-19(10-12(2)21)16(22)15-8-14(17-18-15)13-6-4-3-5-7-13/h3-8,11-12,20-21H,9-10H2,1-2H3,(H,17,18)
InChIKeyWZAAYXFDHGTELO-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.28
Rot. Bonds6

About N,N-bis(2-hydroxypropyl)-3-phenyl-1H-pyrazole-5-carboxamide

N,N-bis(2-hydroxypropyl)-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 71713626) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N,N-bis(2-hydroxypropyl)-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN,N-bis(2-hydroxypropyl)-3-phenyl-1H-pyrazole-5-carboxamide
PubChem CID71713626
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN,N-bis(2-hydroxypropyl)-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCC(O)CN(CC(C)O)C(=O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C16H21N3O3/c1-11(20)9-19(10-12(2)21)16(22)15-8-14(17-18-15)13-6-4-3-5-7-13/h3-8,11-12,20-21H,9-10H2,1-2H3,(H,17,18)
InChIKeyWZAAYXFDHGTELO-UHFFFAOYSA-N
XLogP1.28
TPSA89.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-hydroxypropyl)-3-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N,N-bis(2-hydroxypropyl)-3-phenyl-1H-pyrazole-5-carboxamide (CID 71713626) is N,N-bis(2-hydroxypropyl)-3-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N,N-bis(2-hydroxypropyl)-3-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N,N-bis(2-hydroxypropyl)-3-phenyl-1H-pyrazole-5-carboxamide is CC(O)CN(CC(C)O)C(=O)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of N,N-bis(2-hydroxypropyl)-3-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is WZAAYXFDHGTELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-11(20)9-19(10-12(2)21)16(22)15-8-14(17-18-15)13-6-4-3-5-7-13/h3-8,11-12,20-21H,9-10H2,1-2H3,(H,17,18).
What are the key properties of N,N-bis(2-hydroxypropyl)-3-phenyl-1H-pyrazole-5-carboxamide?
N,N-bis(2-hydroxypropyl)-3-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 1.28, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-hydroxypropyl)-3-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 71713626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).