N-(2-aminoethyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide

C12H15N5O — CID 108793385

IUPACN-(2-aminoethyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCCN)cnn1-c1ccccn1
InChIInChI=1S/C12H15N5O/c1-9-10(12(18)15-7-5-13)8-16-17(9)11-4-2-3-6-14-11/h2-4,6,8H,5,7,13H2,1H3,(H,15,18)
InChIKeyAAHIKEDHGNQZMI-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.26
Rot. Bonds4

About N-(2-aminoethyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide

N-(2-aminoethyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide (PubChem CID 108793385) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is N-(2-aminoethyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
PubChem CID108793385
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC NameN-(2-aminoethyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCCN)cnn1-c1ccccn1
InChIInChI=1S/C12H15N5O/c1-9-10(12(18)15-7-5-13)8-16-17(9)11-4-2-3-6-14-11/h2-4,6,8H,5,7,13H2,1H3,(H,15,18)
InChIKeyAAHIKEDHGNQZMI-UHFFFAOYSA-N
XLogP0.26
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-1-pyridin-2-ylpyrazole-4-carbohydrazide
CID 10998462
5-methyl-N-octyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 108793376
N-(2-aminoethyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108788938
N-(2-aminoethyl)-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide;hydrochloride
CID 119382600
N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 137150738
2-[[2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]acetyl]amino]acetic acid
CID 108793421
N-(2-fluorophenyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 15944125
N-tert-butyl-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 47166966
4-[[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]methyl]benzoic acid
CID 108793390
N-(2-hydroxy-2,3-dimethylbutyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 111484404
N-butan-2-yl-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 108793345
N-[2-(2-hydroxyethyl)pentyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 111662368

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-(2-aminoethyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide (CID 108793385) is N-(2-aminoethyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide is Cc1c(C(=O)NCCN)cnn1-c1ccccn1.
What is the InChIKey of N-(2-aminoethyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide?
The InChIKey is AAHIKEDHGNQZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-9-10(12(18)15-7-5-13)8-16-17(9)11-4-2-3-6-14-11/h2-4,6,8H,5,7,13H2,1H3,(H,15,18).
What are the key properties of N-(2-aminoethyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide?
N-(2-aminoethyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide has a molecular weight of 245.29 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 108793385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).