N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide

C13H16N4O2 — CID 60975328

IUPACN-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide
SMILESCC(C)Oc1ncccc1CNC(=O)c1cn[nH]c1
InChIInChI=1S/C13H16N4O2/c1-9(2)19-13-10(4-3-5-14-13)6-15-12(18)11-7-16-17-8-11/h3-5,7-9H,6H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyDFEMFLGCVMMSQB-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.52
Rot. Bonds5

About N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide

N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide (PubChem CID 60975328) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide
PubChem CID60975328
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC NameN-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide
SMILESCC(C)Oc1ncccc1CNC(=O)c1cn[nH]c1
InChIInChI=1S/C13H16N4O2/c1-9(2)19-13-10(4-3-5-14-13)6-15-12(18)11-7-16-17-8-11/h3-5,7-9H,6H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyDFEMFLGCVMMSQB-UHFFFAOYSA-N
XLogP1.52
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-hydroxy-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 63860474
5-chloro-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrazine-2-carboxamide
CID 107249436
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1H-indazole-7-carboxamide
CID 47057623
4-chloro-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 81229055
3-cyano-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]benzamide
CID 51082279
5-(2-methylpropyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1H-pyrazole-3-carboxamide
CID 55742343
1-amino-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclopropane-1-carboxamide
CID 65464946
2,3-dimethyl-4-oxo-4-[(2-propan-2-yloxy-3-pyridinyl)methylamino]but-2-enoic acid
CID 76992706
3-amino-2,2-dimethyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propanamide
CID 115426650
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 61373670
4-methoxy-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]thiophene-2-carboxamide
CID 71982662
5-oxo-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidine-3-carboxamide
CID 78982061

Frequently Asked Questions

What is the IUPAC name of N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide (CID 60975328) is N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide is CC(C)Oc1ncccc1CNC(=O)c1cn[nH]c1.
What is the InChIKey of N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide?
The InChIKey is DFEMFLGCVMMSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-9(2)19-13-10(4-3-5-14-13)6-15-12(18)11-7-16-17-8-11/h3-5,7-9H,6H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide?
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 60975328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).