N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-3-methylpyrrolidine-2-carboxamide

C12H20N4O2 — CID 114255877

IUPACN-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-3-methylpyrrolidine-2-carboxamide
SMILESCOc1cc(CNC(=O)C2NCCC2C)nn1C
InChIInChI=1S/C12H20N4O2/c1-8-4-5-13-11(8)12(17)14-7-9-6-10(18-3)16(2)15-9/h6,8,11,13H,4-5,7H2,1-3H3,(H,14,17)
InChIKeyPFEAFVAZFUYBEG-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.04
Rot. Bonds4

About N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-3-methylpyrrolidine-2-carboxamide

N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-3-methylpyrrolidine-2-carboxamide (PubChem CID 114255877) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-3-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-3-methylpyrrolidine-2-carboxamide
PubChem CID114255877
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC NameN-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-3-methylpyrrolidine-2-carboxamide
SMILESCOc1cc(CNC(=O)C2NCCC2C)nn1C
InChIInChI=1S/C12H20N4O2/c1-8-4-5-13-11(8)12(17)14-7-9-6-10(18-3)16(2)15-9/h6,8,11,13H,4-5,7H2,1-3H3,(H,14,17)
InChIKeyPFEAFVAZFUYBEG-UHFFFAOYSA-N
XLogP0.04
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]piperidine-3-carboxamide
CID 114255871
3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 102779685
N-[(2-methoxy-4-pyridinyl)methyl]-3-methylpyrrolidine-2-carboxamide
CID 102779392
N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-3,4-dimethylcyclohexan-1-amine
CID 114255453
2,2,2-trifluoro-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]acetamide
CID 130497701
2-[(5-methoxy-1-methylpyrazol-3-yl)methylcarbamoyl-methylamino]acetic acid
CID 114256149
4-fluoro-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]benzamide
CID 114255745
(2S)-2-amino-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-3,3-dimethylbutanamide
CID 114255886
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methylpiperidine-2-carboxamide
CID 106047227
3-[(5-methoxy-1-methylpyrazol-3-yl)methylcarbamoylamino]-2-methylpropanoic acid
CID 114256151
4-amino-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-3-methylbutanamide
CID 114255881
3-methyl-N-[(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 102779276

Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-3-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-3-methylpyrrolidine-2-carboxamide (CID 114255877) is N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-3-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-3-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-3-methylpyrrolidine-2-carboxamide is COc1cc(CNC(=O)C2NCCC2C)nn1C.
What is the InChIKey of N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-3-methylpyrrolidine-2-carboxamide?
The InChIKey is PFEAFVAZFUYBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-8-4-5-13-11(8)12(17)14-7-9-6-10(18-3)16(2)15-9/h6,8,11,13H,4-5,7H2,1-3H3,(H,14,17).
What are the key properties of N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-3-methylpyrrolidine-2-carboxamide?
N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-3-methylpyrrolidine-2-carboxamide has a molecular weight of 252.32 g/mol, XLogP of 0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-3-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 114255877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).