N-methyl-5-(phenoxymethyl)-N-(1-pyridin-2-ylpropyl)-1H-pyrazole-3-carboxamide

C20H22N4O2 — CID 56760234

IUPACN-methyl-5-(phenoxymethyl)-N-(1-pyridin-2-ylpropyl)-1H-pyrazole-3-carboxamide
SMILESCCC(c1ccccn1)N(C)C(=O)c1cc(COc2ccccc2)[nH]n1
InChIInChI=1S/C20H22N4O2/c1-3-19(17-11-7-8-12-21-17)24(2)20(25)18-13-15(22-23-18)14-26-16-9-5-4-6-10-16/h4-13,19H,3,14H2,1-2H3,(H,22,23)
InChIKeyRASLGLWWMFQKGL-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.61
Rot. Bonds7

About N-methyl-5-(phenoxymethyl)-N-(1-pyridin-2-ylpropyl)-1H-pyrazole-3-carboxamide

N-methyl-5-(phenoxymethyl)-N-(1-pyridin-2-ylpropyl)-1H-pyrazole-3-carboxamide (PubChem CID 56760234) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-methyl-5-(phenoxymethyl)-N-(1-pyridin-2-ylpropyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-5-(phenoxymethyl)-N-(1-pyridin-2-ylpropyl)-1H-pyrazole-3-carboxamide
PubChem CID56760234
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-methyl-5-(phenoxymethyl)-N-(1-pyridin-2-ylpropyl)-1H-pyrazole-3-carboxamide
SMILESCCC(c1ccccn1)N(C)C(=O)c1cc(COc2ccccc2)[nH]n1
InChIInChI=1S/C20H22N4O2/c1-3-19(17-11-7-8-12-21-17)24(2)20(25)18-13-15(22-23-18)14-26-16-9-5-4-6-10-16/h4-13,19H,3,14H2,1-2H3,(H,22,23)
InChIKeyRASLGLWWMFQKGL-UHFFFAOYSA-N
XLogP3.61
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(phenoxymethyl)-N-(1-pyridin-2-ylpropyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-methyl-5-(phenoxymethyl)-N-(1-pyridin-2-ylpropyl)-1H-pyrazole-3-carboxamide (CID 56760234) is N-methyl-5-(phenoxymethyl)-N-(1-pyridin-2-ylpropyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-methyl-5-(phenoxymethyl)-N-(1-pyridin-2-ylpropyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-methyl-5-(phenoxymethyl)-N-(1-pyridin-2-ylpropyl)-1H-pyrazole-3-carboxamide is CCC(c1ccccn1)N(C)C(=O)c1cc(COc2ccccc2)[nH]n1.
What is the InChIKey of N-methyl-5-(phenoxymethyl)-N-(1-pyridin-2-ylpropyl)-1H-pyrazole-3-carboxamide?
The InChIKey is RASLGLWWMFQKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-3-19(17-11-7-8-12-21-17)24(2)20(25)18-13-15(22-23-18)14-26-16-9-5-4-6-10-16/h4-13,19H,3,14H2,1-2H3,(H,22,23).
What are the key properties of N-methyl-5-(phenoxymethyl)-N-(1-pyridin-2-ylpropyl)-1H-pyrazole-3-carboxamide?
N-methyl-5-(phenoxymethyl)-N-(1-pyridin-2-ylpropyl)-1H-pyrazole-3-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(phenoxymethyl)-N-(1-pyridin-2-ylpropyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 56760234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).