3-amino-N-[(1-phenylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide

C14H14N6O — CID 64523664

IUPAC3-amino-N-[(1-phenylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
SMILESNc1cc(C(=O)NCc2cnn(-c3ccccc3)c2)[nH]n1
InChIInChI=1S/C14H14N6O/c15-13-6-12(18-19-13)14(21)16-7-10-8-17-20(9-10)11-4-2-1-3-5-11/h1-6,8-9H,7H2,(H,16,21)(H3,15,18,19)
InChIKeyAEVDVPDLLUICPG-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.11
Rot. Bonds4

About 3-amino-N-[(1-phenylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide

3-amino-N-[(1-phenylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide (PubChem CID 64523664) has the molecular formula C14H14N6O and a molecular weight of 282.31 g/mol. Its IUPAC name is 3-amino-N-[(1-phenylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(1-phenylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
PubChem CID64523664
Molecular FormulaC14H14N6O
Molecular Weight282.31 g/mol
Exact Mass282.12
IUPAC Name3-amino-N-[(1-phenylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
SMILESNc1cc(C(=O)NCc2cnn(-c3ccccc3)c2)[nH]n1
InChIInChI=1S/C14H14N6O/c15-13-6-12(18-19-13)14(21)16-7-10-8-17-20(9-10)11-4-2-1-3-5-11/h1-6,8-9H,7H2,(H,16,21)(H3,15,18,19)
InChIKeyAEVDVPDLLUICPG-UHFFFAOYSA-N
XLogP1.11
TPSA101.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 131935956
2-N,6-N-bis[(1-phenylpyrazol-4-yl)methyl]pyridine-2,6-dicarboxamide
CID 39058604
N-[(1-phenylpyrazol-4-yl)methyl]-4-pyrazol-1-ylbenzamide
CID 17483211
2-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]triazole-4-carboxamide
CID 134036061
2,5-dichloro-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-3-carboxamide
CID 42044485
5-bromo-2-chloro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 134036052
3-amino-N-[(4-chlorophenyl)methyl]-1H-pyrazole-5-carboxamide
CID 64523629
5-methyl-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 52553185
2-chloro-N-[(1-phenylpyrazol-4-yl)methyl]furan-3-carboxamide
CID 106685695
2,3,5-trichloro-6-hydroxy-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 112821059
2-(2-methoxyethoxy)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 55996337
(2R)-2-amino-3-methyl-N-[(1-phenylpyrazol-4-yl)methyl]butanamide
CID 79012304

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1-phenylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-[(1-phenylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide (CID 64523664) is 3-amino-N-[(1-phenylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[(1-phenylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-[(1-phenylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide is Nc1cc(C(=O)NCc2cnn(-c3ccccc3)c2)[nH]n1.
What is the InChIKey of 3-amino-N-[(1-phenylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is AEVDVPDLLUICPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O/c15-13-6-12(18-19-13)14(21)16-7-10-8-17-20(9-10)11-4-2-1-3-5-11/h1-6,8-9H,7H2,(H,16,21)(H3,15,18,19).
What are the key properties of 3-amino-N-[(1-phenylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide?
3-amino-N-[(1-phenylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 282.31 g/mol, XLogP of 1.11, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1-phenylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 64523664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).