3-amino-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1H-pyrazole-5-carboxamide

C15H16N6O — CID 131935956

IUPAC3-amino-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1H-pyrazole-5-carboxamide
SMILESNc1cc(C(=O)NCCc2cnn(-c3ccccc3)c2)[nH]n1
InChIInChI=1S/C15H16N6O/c16-14-8-13(19-20-14)15(22)17-7-6-11-9-18-21(10-11)12-4-2-1-3-5-12/h1-5,8-10H,6-7H2,(H,17,22)(H3,16,19,20)
InChIKeyJNHDONIYYHNQDT-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.15
Rot. Bonds5

About 3-amino-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1H-pyrazole-5-carboxamide

3-amino-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1H-pyrazole-5-carboxamide (PubChem CID 131935956) has the molecular formula C15H16N6O and a molecular weight of 296.33 g/mol. Its IUPAC name is 3-amino-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1H-pyrazole-5-carboxamide
PubChem CID131935956
Molecular FormulaC15H16N6O
Molecular Weight296.33 g/mol
Exact Mass296.14
IUPAC Name3-amino-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1H-pyrazole-5-carboxamide
SMILESNc1cc(C(=O)NCCc2cnn(-c3ccccc3)c2)[nH]n1
InChIInChI=1S/C15H16N6O/c16-14-8-13(19-20-14)15(22)17-7-6-11-9-18-21(10-11)12-4-2-1-3-5-12/h1-5,8-10H,6-7H2,(H,17,22)(H3,16,19,20)
InChIKeyJNHDONIYYHNQDT-UHFFFAOYSA-N
XLogP1.15
TPSA101.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[(1-phenylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 64523664
N-[2-(1-phenylpyrazol-4-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78880476
4-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzene-1,4-dicarboxamide
CID 134000714
5-chloro-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide
CID 55556558
N-[2-(1-phenylpyrazol-4-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 16613811
2,3-difluoro-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
CID 146122367
2-methyl-1,3-dioxo-N-[2-(1-phenylpyrazol-4-yl)ethyl]isoindole-5-carboxamide
CID 55517644
5-(5-methylfuran-2-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 70775870
1-(4-fluorophenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide
CID 72865599
N-[2-oxo-2-[2-(1-phenylpyrazol-4-yl)ethylamino]ethyl]benzamide
CID 134000509
6-chloro-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyridine-3-carboxamide
CID 16613764
3-methoxy-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
CID 134000530

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1H-pyrazole-5-carboxamide (CID 131935956) is 3-amino-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1H-pyrazole-5-carboxamide is Nc1cc(C(=O)NCCc2cnn(-c3ccccc3)c2)[nH]n1.
What is the InChIKey of 3-amino-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1H-pyrazole-5-carboxamide?
The InChIKey is JNHDONIYYHNQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O/c16-14-8-13(19-20-14)15(22)17-7-6-11-9-18-21(10-11)12-4-2-1-3-5-12/h1-5,8-10H,6-7H2,(H,17,22)(H3,16,19,20).
What are the key properties of 3-amino-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1H-pyrazole-5-carboxamide?
3-amino-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 1.15, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 131935956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).