5-amino-N-(1H-pyrazol-4-ylmethyl)-1H-indazole-3-carboxamide

C12H12N6O — CID 61141140

IUPAC5-amino-N-(1H-pyrazol-4-ylmethyl)-1H-indazole-3-carboxamide
SMILESNc1ccc2[nH]nc(C(=O)NCc3cn[nH]c3)c2c1
InChIInChI=1S/C12H12N6O/c13-8-1-2-10-9(3-8)11(18-17-10)12(19)14-4-7-5-15-16-6-7/h1-3,5-6H,4,13H2,(H,14,19)(H,15,16)(H,17,18)
InChIKeyQXWUOBGORLNNIH-UHFFFAOYSA-N
MW256.27 g/mol
LogP0.80
Rot. Bonds3

About 5-amino-N-(1H-pyrazol-4-ylmethyl)-1H-indazole-3-carboxamide

5-amino-N-(1H-pyrazol-4-ylmethyl)-1H-indazole-3-carboxamide (PubChem CID 61141140) has the molecular formula C12H12N6O and a molecular weight of 256.27 g/mol. Its IUPAC name is 5-amino-N-(1H-pyrazol-4-ylmethyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-(1H-pyrazol-4-ylmethyl)-1H-indazole-3-carboxamide
PubChem CID61141140
Molecular FormulaC12H12N6O
Molecular Weight256.27 g/mol
Exact Mass256.11
IUPAC Name5-amino-N-(1H-pyrazol-4-ylmethyl)-1H-indazole-3-carboxamide
SMILESNc1ccc2[nH]nc(C(=O)NCc3cn[nH]c3)c2c1
InChIInChI=1S/C12H12N6O/c13-8-1-2-10-9(3-8)11(18-17-10)12(19)14-4-7-5-15-16-6-7/h1-3,5-6H,4,13H2,(H,14,19)(H,15,16)(H,17,18)
InChIKeyQXWUOBGORLNNIH-UHFFFAOYSA-N
XLogP0.80
TPSA112.48 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 50.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
CID 54944301
5-amino-N-[(6-methyl-3-pyridinyl)methyl]-1H-indazole-3-carboxamide
CID 62997565
5-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-indazole-3-carboxamide
CID 61140575
5-amino-N-ethyl-1H-indazole-3-carboxamide
CID 60909138
3,5-diamino-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 61138669
5-amino-N-[(4-methyl-3-pyridinyl)methyl]-1H-indazole-3-carboxamide
CID 114954310
5-amino-N-(2,2-difluoro-3-hydroxypropyl)-1H-indazole-3-carboxamide
CID 106164289
5-amino-N-[2-(2-hydroxyethoxy)ethyl]-1H-indazole-3-carboxamide
CID 55083677
5-amino-N-(4-ethyl-1H-pyrazol-5-yl)-1H-indazole-3-carboxamide
CID 104616617
5-amino-N-(2,2,3,3-tetrafluoropropyl)-1H-indazole-3-carboxamide
CID 106289149
5-amino-N-[(2S)-1-hydroxybutan-2-yl]-1H-indazole-3-carboxamide
CID 94177019
5-amino-N-(4-propan-2-yloxybutyl)-1H-indazole-3-carboxamide
CID 106006184

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1H-pyrazol-4-ylmethyl)-1H-indazole-3-carboxamide?
The IUPAC name of 5-amino-N-(1H-pyrazol-4-ylmethyl)-1H-indazole-3-carboxamide (CID 61141140) is 5-amino-N-(1H-pyrazol-4-ylmethyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-amino-N-(1H-pyrazol-4-ylmethyl)-1H-indazole-3-carboxamide?
The canonical SMILES for 5-amino-N-(1H-pyrazol-4-ylmethyl)-1H-indazole-3-carboxamide is Nc1ccc2[nH]nc(C(=O)NCc3cn[nH]c3)c2c1.
What is the InChIKey of 5-amino-N-(1H-pyrazol-4-ylmethyl)-1H-indazole-3-carboxamide?
The InChIKey is QXWUOBGORLNNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O/c13-8-1-2-10-9(3-8)11(18-17-10)12(19)14-4-7-5-15-16-6-7/h1-3,5-6H,4,13H2,(H,14,19)(H,15,16)(H,17,18).
What are the key properties of 5-amino-N-(1H-pyrazol-4-ylmethyl)-1H-indazole-3-carboxamide?
5-amino-N-(1H-pyrazol-4-ylmethyl)-1H-indazole-3-carboxamide has a molecular weight of 256.27 g/mol, XLogP of 0.80, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1H-pyrazol-4-ylmethyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 61141140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).