5-amino-N-(1-pyridin-2-ylethyl)-1H-pyrazole-4-carboxamide

C11H13N5O — CID 43524573

IUPAC5-amino-N-(1-pyridin-2-ylethyl)-1H-pyrazole-4-carboxamide
SMILESCC(NC(=O)c1cn[nH]c1N)c1ccccn1
InChIInChI=1S/C11H13N5O/c1-7(9-4-2-3-5-13-9)15-11(17)8-6-14-16-10(8)12/h2-7H,1H3,(H,15,17)(H3,12,14,16)
InChIKeyDTGQTJOPAIEAJD-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.88
Rot. Bonds3

About 5-amino-N-(1-pyridin-2-ylethyl)-1H-pyrazole-4-carboxamide

5-amino-N-(1-pyridin-2-ylethyl)-1H-pyrazole-4-carboxamide (PubChem CID 43524573) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 5-amino-N-(1-pyridin-2-ylethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(1-pyridin-2-ylethyl)-1H-pyrazole-4-carboxamide
PubChem CID43524573
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name5-amino-N-(1-pyridin-2-ylethyl)-1H-pyrazole-4-carboxamide
SMILESCC(NC(=O)c1cn[nH]c1N)c1ccccn1
InChIInChI=1S/C11H13N5O/c1-7(9-4-2-3-5-13-9)15-11(17)8-6-14-16-10(8)12/h2-7H,1H3,(H,15,17)(H3,12,14,16)
InChIKeyDTGQTJOPAIEAJD-UHFFFAOYSA-N
XLogP0.88
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylamino)-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 81406697
2-chloro-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 36804802
4-amino-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 81407597
5-amino-N-(1-pyridin-2-ylethyl)pyridine-2-carboxamide
CID 81315746
3-hydroxy-N-(1-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 81443248
2-amino-4-chloro-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 81406870
5-amino-2,4-difluoro-N-(1-pyridin-2-ylethyl)benzamide
CID 61092654
3-hydroxy-2-methyl-N-(1-pyridin-2-ylethyl)benzamide
CID 82829719
2-(ethylamino)-N-(1-pyridin-2-ylethyl)benzamide
CID 62168319
6-methyl-2-oxo-N-[(1S)-1-pyridin-2-ylethyl]-1H-pyridine-3-carboxamide
CID 95976232
4-amino-2-methoxy-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 107207958
4-amino-3-chloro-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 81407020

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1-pyridin-2-ylethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-(1-pyridin-2-ylethyl)-1H-pyrazole-4-carboxamide (CID 43524573) is 5-amino-N-(1-pyridin-2-ylethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(1-pyridin-2-ylethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(1-pyridin-2-ylethyl)-1H-pyrazole-4-carboxamide is CC(NC(=O)c1cn[nH]c1N)c1ccccn1.
What is the InChIKey of 5-amino-N-(1-pyridin-2-ylethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is DTGQTJOPAIEAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-7(9-4-2-3-5-13-9)15-11(17)8-6-14-16-10(8)12/h2-7H,1H3,(H,15,17)(H3,12,14,16).
What are the key properties of 5-amino-N-(1-pyridin-2-ylethyl)-1H-pyrazole-4-carboxamide?
5-amino-N-(1-pyridin-2-ylethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 231.26 g/mol, XLogP of 0.88, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1-pyridin-2-ylethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 43524573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).