5-[[cyclopropyl(ethyl)amino]methyl]-1-methylpyrazole-4-carboxylic acid

C11H17N3O2 — CID 116631752

IUPAC5-[[cyclopropyl(ethyl)amino]methyl]-1-methylpyrazole-4-carboxylic acid
SMILESCCN(Cc1c(C(=O)O)cnn1C)C1CC1
InChIInChI=1S/C11H17N3O2/c1-3-14(8-4-5-8)7-10-9(11(15)16)6-12-13(10)2/h6,8H,3-5,7H2,1-2H3,(H,15,16)
InChIKeyISVWGVCKAAVZJX-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.10
Rot. Bonds5

About 5-[[cyclopropyl(ethyl)amino]methyl]-1-methylpyrazole-4-carboxylic acid

5-[[cyclopropyl(ethyl)amino]methyl]-1-methylpyrazole-4-carboxylic acid (PubChem CID 116631752) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 5-[[cyclopropyl(ethyl)amino]methyl]-1-methylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[[cyclopropyl(ethyl)amino]methyl]-1-methylpyrazole-4-carboxylic acid
PubChem CID116631752
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name5-[[cyclopropyl(ethyl)amino]methyl]-1-methylpyrazole-4-carboxylic acid
SMILESCCN(Cc1c(C(=O)O)cnn1C)C1CC1
InChIInChI=1S/C11H17N3O2/c1-3-14(8-4-5-8)7-10-9(11(15)16)6-12-13(10)2/h6,8H,3-5,7H2,1-2H3,(H,15,16)
InChIKeyISVWGVCKAAVZJX-UHFFFAOYSA-N
XLogP1.10
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
CID 2775665
3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid
CID 18983008
1,5-Dimethyl-1H-pyrazole-4-carboxylic acid
CID 1273303
1,3-dimethyl-1H-pyrazole-4-carboxylic acid
CID 1273304
5-Methyl-1-propyl-1H-pyrazole-4-carboxylic acid
CID 646418
1-tert-Butyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
CID 1482039
1-Methyl-5-(trifluoromethyl)pyrazole-4-carboxylic Acid
CID 2807771
1-ethyl-5-methyl-1H-pyrazole-4-carboxylic acid
CID 1075882
1-Ethyl-3-methyl-1H-pyrazole-4-carboxylic acid
CID 1075881
5-methyl-1-(pentan-3-yl)-1H-pyrazole-4-carboxylic acid
CID 61270534
3-methyl-1-(propan-2-yl)-1H-pyrazole-4-carboxylic acid
CID 14277911
1-butyl-3-methyl-1H-pyrazole-4-carboxylic acid
CID 14277913

Frequently Asked Questions

What is the IUPAC name of 5-[[cyclopropyl(ethyl)amino]methyl]-1-methylpyrazole-4-carboxylic acid?
The IUPAC name of 5-[[cyclopropyl(ethyl)amino]methyl]-1-methylpyrazole-4-carboxylic acid (CID 116631752) is 5-[[cyclopropyl(ethyl)amino]methyl]-1-methylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-[[cyclopropyl(ethyl)amino]methyl]-1-methylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-[[cyclopropyl(ethyl)amino]methyl]-1-methylpyrazole-4-carboxylic acid is CCN(Cc1c(C(=O)O)cnn1C)C1CC1.
What is the InChIKey of 5-[[cyclopropyl(ethyl)amino]methyl]-1-methylpyrazole-4-carboxylic acid?
The InChIKey is ISVWGVCKAAVZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-3-14(8-4-5-8)7-10-9(11(15)16)6-12-13(10)2/h6,8H,3-5,7H2,1-2H3,(H,15,16).
What are the key properties of 5-[[cyclopropyl(ethyl)amino]methyl]-1-methylpyrazole-4-carboxylic acid?
5-[[cyclopropyl(ethyl)amino]methyl]-1-methylpyrazole-4-carboxylic acid has a molecular weight of 223.28 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[cyclopropyl(ethyl)amino]methyl]-1-methylpyrazole-4-carboxylic acid is sourced from PubChem (CID 116631752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).