N-[(2-methoxy-3-pyridinyl)methyl]-5-[(3S)-oxolan-3-yl]-1H-pyrazole-4-carboxamide

C15H18N4O3 — CID 129472950

IUPACN-[(2-methoxy-3-pyridinyl)methyl]-5-[(3S)-oxolan-3-yl]-1H-pyrazole-4-carboxamide
SMILESCOc1ncccc1CNC(=O)c1cn[nH]c1[C@@H]1CCOC1
InChIInChI=1S/C15H18N4O3/c1-21-15-10(3-2-5-16-15)7-17-14(20)12-8-18-19-13(12)11-4-6-22-9-11/h2-3,5,8,11H,4,6-7,9H2,1H3,(H,17,20)(H,18,19)/t11-/m1/s1
InChIKeyZTDGZNJWAWOOKL-LLVKDONJSA-N
MW302.33 g/mol
LogP1.25
Rot. Bonds5

About N-[(2-methoxy-3-pyridinyl)methyl]-5-[(3S)-oxolan-3-yl]-1H-pyrazole-4-carboxamide

N-[(2-methoxy-3-pyridinyl)methyl]-5-[(3S)-oxolan-3-yl]-1H-pyrazole-4-carboxamide (PubChem CID 129472950) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is N-[(2-methoxy-3-pyridinyl)methyl]-5-[(3S)-oxolan-3-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxy-3-pyridinyl)methyl]-5-[(3S)-oxolan-3-yl]-1H-pyrazole-4-carboxamide
PubChem CID129472950
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC NameN-[(2-methoxy-3-pyridinyl)methyl]-5-[(3S)-oxolan-3-yl]-1H-pyrazole-4-carboxamide
SMILESCOc1ncccc1CNC(=O)c1cn[nH]c1[C@@H]1CCOC1
InChIInChI=1S/C15H18N4O3/c1-21-15-10(3-2-5-16-15)7-17-14(20)12-8-18-19-13(12)11-4-6-22-9-11/h2-3,5,8,11H,4,6-7,9H2,1H3,(H,17,20)(H,18,19)/t11-/m1/s1
InChIKeyZTDGZNJWAWOOKL-LLVKDONJSA-N
XLogP1.25
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-3-pyridinyl)methyl]-5-[(3S)-oxolan-3-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(2-methoxy-3-pyridinyl)methyl]-5-[(3S)-oxolan-3-yl]-1H-pyrazole-4-carboxamide (CID 129472950) is N-[(2-methoxy-3-pyridinyl)methyl]-5-[(3S)-oxolan-3-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(2-methoxy-3-pyridinyl)methyl]-5-[(3S)-oxolan-3-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(2-methoxy-3-pyridinyl)methyl]-5-[(3S)-oxolan-3-yl]-1H-pyrazole-4-carboxamide is COc1ncccc1CNC(=O)c1cn[nH]c1[C@@H]1CCOC1.
What is the InChIKey of N-[(2-methoxy-3-pyridinyl)methyl]-5-[(3S)-oxolan-3-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is ZTDGZNJWAWOOKL-LLVKDONJSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-21-15-10(3-2-5-16-15)7-17-14(20)12-8-18-19-13(12)11-4-6-22-9-11/h2-3,5,8,11H,4,6-7,9H2,1H3,(H,17,20)(H,18,19)/t11-/m1/s1.
What are the key properties of N-[(2-methoxy-3-pyridinyl)methyl]-5-[(3S)-oxolan-3-yl]-1H-pyrazole-4-carboxamide?
N-[(2-methoxy-3-pyridinyl)methyl]-5-[(3S)-oxolan-3-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-3-pyridinyl)methyl]-5-[(3S)-oxolan-3-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 129472950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).