N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-1H-indazol-4-amine

C15H13N5S — CID 60931249

IUPACN-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-1H-indazol-4-amine
SMILESc1csc(-c2[nH]ncc2CNc2cccc3[nH]ncc23)c1
InChIInChI=1S/C15H13N5S/c1-3-12(11-9-18-19-13(11)4-1)16-7-10-8-17-20-15(10)14-5-2-6-21-14/h1-6,8-9,16H,7H2,(H,17,20)(H,18,19)
InChIKeyXVOURPSLYSTICE-UHFFFAOYSA-N
MW295.37 g/mol
LogP3.63
Rot. Bonds4

About N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-1H-indazol-4-amine

N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-1H-indazol-4-amine (PubChem CID 60931249) has the molecular formula C15H13N5S and a molecular weight of 295.37 g/mol. Its IUPAC name is N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-1H-indazol-4-amine.

Molecular Properties

Compound NameN-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-1H-indazol-4-amine
PubChem CID60931249
Molecular FormulaC15H13N5S
Molecular Weight295.37 g/mol
Exact Mass295.09
IUPAC NameN-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-1H-indazol-4-amine
SMILESc1csc(-c2[nH]ncc2CNc2cccc3[nH]ncc23)c1
InChIInChI=1S/C15H13N5S/c1-3-12(11-9-18-19-13(11)4-1)16-7-10-8-17-20-15(10)14-5-2-6-21-14/h1-6,8-9,16H,7H2,(H,17,20)(H,18,19)
InChIKeyXVOURPSLYSTICE-UHFFFAOYSA-N
XLogP3.63
TPSA69.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-thiophen-2-ylthiophen-2-yl)methyl]-1H-indazol-4-amine
CID 60931499
2-methoxy-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]aniline
CID 43757837
2-methyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyridin-3-amine
CID 79041980
2-(methoxymethyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]aniline
CID 43779830
2-nitro-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]aniline
CID 43785499
4-chloro-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyridin-3-amine
CID 83166919
4-chloro-2-fluoro-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]aniline
CID 43785115
N-[(3-methylthiophen-2-yl)methyl]-1H-indazol-4-amine
CID 54865666
N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]thiophen-3-amine
CID 66349893
4-bromo-2-methyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]aniline
CID 43758839
4-fluoro-2-methyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]aniline
CID 43764924
3,4,5-trifluoro-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]aniline
CID 62809140

Frequently Asked Questions

What is the IUPAC name of N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-1H-indazol-4-amine?
The IUPAC name of N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-1H-indazol-4-amine (CID 60931249) is N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-1H-indazol-4-amine.
What is the SMILES notation for N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-1H-indazol-4-amine?
The canonical SMILES for N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-1H-indazol-4-amine is c1csc(-c2[nH]ncc2CNc2cccc3[nH]ncc23)c1.
What is the InChIKey of N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-1H-indazol-4-amine?
The InChIKey is XVOURPSLYSTICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5S/c1-3-12(11-9-18-19-13(11)4-1)16-7-10-8-17-20-15(10)14-5-2-6-21-14/h1-6,8-9,16H,7H2,(H,17,20)(H,18,19).
What are the key properties of N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-1H-indazol-4-amine?
N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-1H-indazol-4-amine has a molecular weight of 295.37 g/mol, XLogP of 3.63, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-1H-indazol-4-amine is sourced from PubChem (CID 60931249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).