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

C10H11N5O — CID 63107423

IUPAC4-amino-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide
SMILESNc1cn[nH]c1C(=O)NCc1ccncc1
InChIInChI=1S/C10H11N5O/c11-8-6-14-15-9(8)10(16)13-5-7-1-3-12-4-2-7/h1-4,6H,5,11H2,(H,13,16)(H,14,15)
InChIKeyZLBNPVASBVJNSP-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.32
Rot. Bonds3

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

4-amino-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide (PubChem CID 63107423) has the molecular formula C10H11N5O and a molecular weight of 217.23 g/mol. Its IUPAC name is 4-amino-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide
PubChem CID63107423
Molecular FormulaC10H11N5O
Molecular Weight217.23 g/mol
Exact Mass217.10
IUPAC Name4-amino-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide
SMILESNc1cn[nH]c1C(=O)NCc1ccncc1
InChIInChI=1S/C10H11N5O/c11-8-6-14-15-9(8)10(16)13-5-7-1-3-12-4-2-7/h1-4,6H,5,11H2,(H,13,16)(H,14,15)
InChIKeyZLBNPVASBVJNSP-UHFFFAOYSA-N
XLogP0.32
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(1,2-oxazol-5-ylmethyl)-1H-pyrazole-5-carboxamide
CID 106413481
3,5-dioxo-N-(pyridin-4-ylmethyl)-2H-1,2,4-triazine-6-carboxamide
CID 110701992
4-amino-N-(2,3-dimethylbutyl)-1H-pyrazole-5-carboxamide
CID 64570387
4-amino-N-pentan-3-yl-1H-pyrazole-5-carboxamide
CID 63106670
4-amino-N-pyrazin-2-yl-1H-pyrazole-5-carboxamide
CID 63102658
ethane;pyridin-4-ylmethylurea
CID 144877282
2,6-dihydroxy-N-(pyridin-4-ylmethyl)benzamide
CID 113254463
4-amino-N-[2-(dimethylamino)propyl]-1H-pyrazole-5-carboxamide
CID 63102506
4-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 64517006
4-amino-N-[2-(methanesulfonamido)ethyl]-1H-pyrazole-5-carboxamide
CID 63101763
3-(pyridin-4-ylmethylcarbamoyl)pyrazine-2-carboxylic acid
CID 2826173
5-hydrazinyl-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 104642246

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide (CID 63107423) is 4-amino-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide is Nc1cn[nH]c1C(=O)NCc1ccncc1.
What is the InChIKey of 4-amino-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is ZLBNPVASBVJNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O/c11-8-6-14-15-9(8)10(16)13-5-7-1-3-12-4-2-7/h1-4,6H,5,11H2,(H,13,16)(H,14,15).
What are the key properties of 4-amino-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide?
4-amino-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 217.23 g/mol, XLogP of 0.32, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 63107423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).