N-(cyclopropylmethyl)-N,1-dimethyl-5-phenylmethoxypyrazole-3-carboxamide

C17H21N3O2 — CID 95748648

IUPACN-(cyclopropylmethyl)-N,1-dimethyl-5-phenylmethoxypyrazole-3-carboxamide
SMILESCN(CC1CC1)C(=O)c1cc(OCc2ccccc2)n(C)n1
InChIInChI=1S/C17H21N3O2/c1-19(11-13-8-9-13)17(21)15-10-16(20(2)18-15)22-12-14-6-4-3-5-7-14/h3-7,10,13H,8-9,11-12H2,1-2H3
InChIKeyDDXAXENWTOHXOR-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.48
Rot. Bonds6

About N-(cyclopropylmethyl)-N,1-dimethyl-5-phenylmethoxypyrazole-3-carboxamide

N-(cyclopropylmethyl)-N,1-dimethyl-5-phenylmethoxypyrazole-3-carboxamide (PubChem CID 95748648) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N,1-dimethyl-5-phenylmethoxypyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N,1-dimethyl-5-phenylmethoxypyrazole-3-carboxamide
PubChem CID95748648
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-(cyclopropylmethyl)-N,1-dimethyl-5-phenylmethoxypyrazole-3-carboxamide
SMILESCN(CC1CC1)C(=O)c1cc(OCc2ccccc2)n(C)n1
InChIInChI=1S/C17H21N3O2/c1-19(11-13-8-9-13)17(21)15-10-16(20(2)18-15)22-12-14-6-4-3-5-7-14/h3-7,10,13H,8-9,11-12H2,1-2H3
InChIKeyDDXAXENWTOHXOR-UHFFFAOYSA-N
XLogP2.48
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N,1-dimethyl-5-phenylmethoxypyrazole-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-N,1-dimethyl-5-phenylmethoxypyrazole-3-carboxamide (CID 95748648) is N-(cyclopropylmethyl)-N,1-dimethyl-5-phenylmethoxypyrazole-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N,1-dimethyl-5-phenylmethoxypyrazole-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-N,1-dimethyl-5-phenylmethoxypyrazole-3-carboxamide is CN(CC1CC1)C(=O)c1cc(OCc2ccccc2)n(C)n1.
What is the InChIKey of N-(cyclopropylmethyl)-N,1-dimethyl-5-phenylmethoxypyrazole-3-carboxamide?
The InChIKey is DDXAXENWTOHXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-19(11-13-8-9-13)17(21)15-10-16(20(2)18-15)22-12-14-6-4-3-5-7-14/h3-7,10,13H,8-9,11-12H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-N,1-dimethyl-5-phenylmethoxypyrazole-3-carboxamide?
N-(cyclopropylmethyl)-N,1-dimethyl-5-phenylmethoxypyrazole-3-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 2.48, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N,1-dimethyl-5-phenylmethoxypyrazole-3-carboxamide is sourced from PubChem (CID 95748648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).