N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide

C11H15N5O2 — CID 99948395

IUPACN-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide
SMILESCOC[C@H](NC(=O)c1cn[nH]c1)c1ccnn1C
InChIInChI=1S/C11H15N5O2/c1-16-10(3-4-14-16)9(7-18-2)15-11(17)8-5-12-13-6-8/h3-6,9H,7H2,1-2H3,(H,12,13)(H,15,17)/t9-/m0/s1
InChIKeyJDHYNKOCRRPOLK-VIFPVBQESA-N
MW249.27 g/mol
LogP0.26
Rot. Bonds5

About N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide

N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide (PubChem CID 99948395) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide
PubChem CID99948395
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC NameN-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide
SMILESCOC[C@H](NC(=O)c1cn[nH]c1)c1ccnn1C
InChIInChI=1S/C11H15N5O2/c1-16-10(3-4-14-16)9(7-18-2)15-11(17)8-5-12-13-6-8/h3-6,9H,7H2,1-2H3,(H,12,13)(H,15,17)/t9-/m0/s1
InChIKeyJDHYNKOCRRPOLK-VIFPVBQESA-N
XLogP0.26
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide (CID 99948395) is N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide is COC[C@H](NC(=O)c1cn[nH]c1)c1ccnn1C.
What is the InChIKey of N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide?
The InChIKey is JDHYNKOCRRPOLK-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15N5O2/c1-16-10(3-4-14-16)9(7-18-2)15-11(17)8-5-12-13-6-8/h3-6,9H,7H2,1-2H3,(H,12,13)(H,15,17)/t9-/m0/s1.
What are the key properties of N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide?
N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide has a molecular weight of 249.27 g/mol, XLogP of 0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 99948395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).