1-methyl-5-[[2-(oxan-4-yl)butylamino]methyl]pyrazole-3-carboxylic acid

C15H25N3O3 — CID 166283395

IUPAC1-methyl-5-[[2-(oxan-4-yl)butylamino]methyl]pyrazole-3-carboxylic acid
SMILESCCC(CNCc1cc(C(=O)O)nn1C)C1CCOCC1
InChIInChI=1S/C15H25N3O3/c1-3-11(12-4-6-21-7-5-12)9-16-10-13-8-14(15(19)20)17-18(13)2/h8,11-12,16H,3-7,9-10H2,1-2H3,(H,19,20)
InChIKeySWWCTHRBTTUUNQ-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.66
Rot. Bonds7

About 1-methyl-5-[[2-(oxan-4-yl)butylamino]methyl]pyrazole-3-carboxylic acid

1-methyl-5-[[2-(oxan-4-yl)butylamino]methyl]pyrazole-3-carboxylic acid (PubChem CID 166283395) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 1-methyl-5-[[2-(oxan-4-yl)butylamino]methyl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-methyl-5-[[2-(oxan-4-yl)butylamino]methyl]pyrazole-3-carboxylic acid
PubChem CID166283395
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name1-methyl-5-[[2-(oxan-4-yl)butylamino]methyl]pyrazole-3-carboxylic acid
SMILESCCC(CNCc1cc(C(=O)O)nn1C)C1CCOCC1
InChIInChI=1S/C15H25N3O3/c1-3-11(12-4-6-21-7-5-12)9-16-10-13-8-14(15(19)20)17-18(13)2/h8,11-12,16H,3-7,9-10H2,1-2H3,(H,19,20)
InChIKeySWWCTHRBTTUUNQ-UHFFFAOYSA-N
XLogP1.66
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-methyl-5-[[2-(oxan-4-yl)butylamino]methyl]pyrazole-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-5-(methylaminomethyl)pyrazole-3-carboxylic acid
CID 117217130
1-methyl-5-(sulfanylmethyl)pyrazole-3-carboxylic acid
CID 117217191
5-(difluoromethyl)-N-[3-hydroxy-1-(oxan-4-yl)propyl]-1-methylpyrazole-3-carboxamide
CID 136564873
2-(5-amino-1-methylpyrazol-3-yl)-2-(oxan-4-yl)acetic acid
CID 83870197
1-methyl-3-(oxan-4-yl)pyrazole-5-carboxylic acid
CID 83702839
N-(3-fluoro-3-methylcyclobutyl)-3-[(3-methylimidazol-4-yl)methylamino]-2-(oxan-4-yl)propanamide
CID 167787236
4-hexan-3-yloxane
CID 118974929
1-ethyl-5-[(propan-2-ylamino)methyl]pyrazole-3-carboxylic acid
CID 117217373
1-(3-ethyl-1-methylpyrazol-5-yl)-3-[1-(oxan-4-yl)ethyl]urea
CID 138043768
2-amino-N-(2,5-dimethylpyrazol-3-yl)-2-(oxan-4-yl)acetamide
CID 120783566
5-(4-chlorobutyl)-1-methylpyrazole-3-carboxylic acid
CID 66958663
5-(1,3-dihydroisoindol-2-ylmethyl)-1-methylpyrazole-3-carboxylic acid
CID 117217117

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[[2-(oxan-4-yl)butylamino]methyl]pyrazole-3-carboxylic acid?
The IUPAC name of 1-methyl-5-[[2-(oxan-4-yl)butylamino]methyl]pyrazole-3-carboxylic acid (CID 166283395) is 1-methyl-5-[[2-(oxan-4-yl)butylamino]methyl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-methyl-5-[[2-(oxan-4-yl)butylamino]methyl]pyrazole-3-carboxylic acid?
The canonical SMILES for 1-methyl-5-[[2-(oxan-4-yl)butylamino]methyl]pyrazole-3-carboxylic acid is CCC(CNCc1cc(C(=O)O)nn1C)C1CCOCC1.
What is the InChIKey of 1-methyl-5-[[2-(oxan-4-yl)butylamino]methyl]pyrazole-3-carboxylic acid?
The InChIKey is SWWCTHRBTTUUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-3-11(12-4-6-21-7-5-12)9-16-10-13-8-14(15(19)20)17-18(13)2/h8,11-12,16H,3-7,9-10H2,1-2H3,(H,19,20).
What are the key properties of 1-methyl-5-[[2-(oxan-4-yl)butylamino]methyl]pyrazole-3-carboxylic acid?
1-methyl-5-[[2-(oxan-4-yl)butylamino]methyl]pyrazole-3-carboxylic acid has a molecular weight of 295.38 g/mol, XLogP of 1.66, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[[2-(oxan-4-yl)butylamino]methyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 166283395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).