N-(2-methyl-2-pyrazol-1-ylpropyl)-1-pyridin-3-ylpyrazole-4-carboxamide

C16H18N6O — CID 154843795

IUPACN-(2-methyl-2-pyrazol-1-ylpropyl)-1-pyridin-3-ylpyrazole-4-carboxamide
SMILESCC(C)(CNC(=O)c1cnn(-c2cccnc2)c1)n1cccn1
InChIInChI=1S/C16H18N6O/c1-16(2,22-8-4-7-19-22)12-18-15(23)13-9-20-21(11-13)14-5-3-6-17-10-14/h3-11H,12H2,1-2H3,(H,18,23)
InChIKeyPGCDGUXZCJEEFA-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.63
Rot. Bonds5

About N-(2-methyl-2-pyrazol-1-ylpropyl)-1-pyridin-3-ylpyrazole-4-carboxamide

N-(2-methyl-2-pyrazol-1-ylpropyl)-1-pyridin-3-ylpyrazole-4-carboxamide (PubChem CID 154843795) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is N-(2-methyl-2-pyrazol-1-ylpropyl)-1-pyridin-3-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-2-pyrazol-1-ylpropyl)-1-pyridin-3-ylpyrazole-4-carboxamide
PubChem CID154843795
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC NameN-(2-methyl-2-pyrazol-1-ylpropyl)-1-pyridin-3-ylpyrazole-4-carboxamide
SMILESCC(C)(CNC(=O)c1cnn(-c2cccnc2)c1)n1cccn1
InChIInChI=1S/C16H18N6O/c1-16(2,22-8-4-7-19-22)12-18-15(23)13-9-20-21(11-13)14-5-3-6-17-10-14/h3-11H,12H2,1-2H3,(H,18,23)
InChIKeyPGCDGUXZCJEEFA-UHFFFAOYSA-N
XLogP1.63
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-dioxolan-2-ylmethyl)-1-pyridin-3-ylpyrazole-4-carboxamide
CID 58270531
N-dimethylsulfinamoyl-1-pyridin-3-ylpyrazole-4-carboxamide
CID 130392037
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-pyridin-3-ylpyrazole-4-carboxamide
CID 120945565
N-[2-(3-fluorophenyl)propan-2-yl]-1-pyridin-3-ylpyrazole-4-carboxamide
CID 122143963
N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1-phenylpyrazole-4-carboxamide
CID 119074513
N-cyclopropylsulfonyl-1-pyridin-3-ylpyrazole-4-carboxamide
CID 53483031
N-[(2S)-2-hydroxypropyl]-1-phenylpyrazole-4-carboxamide
CID 83030878
N-methoxy-N-methyl-1-pyridin-3-ylpyrazole-4-carboxamide;1-(1-pyridin-3-ylpyrazol-4-yl)ethanone
CID 158826133
1-(3-bromophenyl)-N-[2-(ethylamino)ethyl]pyrazole-4-carboxamide
CID 119505644
tert-butyl N-methyl-N-(1-pyridin-3-ylpyrazol-4-yl)carbamate
CID 67499598
N'-(4-tert-butylbenzoyl)-1-phenylpyrazole-4-carbohydrazide
CID 9327562
1-(1-phenylpyrazol-4-yl)-2-pyridin-3-ylethanone
CID 105127838

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-pyrazol-1-ylpropyl)-1-pyridin-3-ylpyrazole-4-carboxamide?
The IUPAC name of N-(2-methyl-2-pyrazol-1-ylpropyl)-1-pyridin-3-ylpyrazole-4-carboxamide (CID 154843795) is N-(2-methyl-2-pyrazol-1-ylpropyl)-1-pyridin-3-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-methyl-2-pyrazol-1-ylpropyl)-1-pyridin-3-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-methyl-2-pyrazol-1-ylpropyl)-1-pyridin-3-ylpyrazole-4-carboxamide is CC(C)(CNC(=O)c1cnn(-c2cccnc2)c1)n1cccn1.
What is the InChIKey of N-(2-methyl-2-pyrazol-1-ylpropyl)-1-pyridin-3-ylpyrazole-4-carboxamide?
The InChIKey is PGCDGUXZCJEEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c1-16(2,22-8-4-7-19-22)12-18-15(23)13-9-20-21(11-13)14-5-3-6-17-10-14/h3-11H,12H2,1-2H3,(H,18,23).
What are the key properties of N-(2-methyl-2-pyrazol-1-ylpropyl)-1-pyridin-3-ylpyrazole-4-carboxamide?
N-(2-methyl-2-pyrazol-1-ylpropyl)-1-pyridin-3-ylpyrazole-4-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-pyrazol-1-ylpropyl)-1-pyridin-3-ylpyrazole-4-carboxamide is sourced from PubChem (CID 154843795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).