N-(1H-pyrrol-2-ylmethyl)-1H-indazole-4-carboxamide

C13H12N4O — CID 110468689

IUPACN-(1H-pyrrol-2-ylmethyl)-1H-indazole-4-carboxamide
SMILESO=C(NCc1ccc[nH]1)c1cccc2[nH]ncc12
InChIInChI=1S/C13H12N4O/c18-13(15-7-9-3-2-6-14-9)10-4-1-5-12-11(10)8-16-17-12/h1-6,8,14H,7H2,(H,15,18)(H,16,17)
InChIKeyMNJRUDSKFDHWAY-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.82
Rot. Bonds3

About N-(1H-pyrrol-2-ylmethyl)-1H-indazole-4-carboxamide

N-(1H-pyrrol-2-ylmethyl)-1H-indazole-4-carboxamide (PubChem CID 110468689) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is N-(1H-pyrrol-2-ylmethyl)-1H-indazole-4-carboxamide.

Molecular Properties

Compound NameN-(1H-pyrrol-2-ylmethyl)-1H-indazole-4-carboxamide
PubChem CID110468689
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC NameN-(1H-pyrrol-2-ylmethyl)-1H-indazole-4-carboxamide
SMILESO=C(NCc1ccc[nH]1)c1cccc2[nH]ncc12
InChIInChI=1S/C13H12N4O/c18-13(15-7-9-3-2-6-14-9)10-4-1-5-12-11(10)8-16-17-12/h1-6,8,14H,7H2,(H,15,18)(H,16,17)
InChIKeyMNJRUDSKFDHWAY-UHFFFAOYSA-N
XLogP1.82
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1H-pyrrol-2-ylmethyl)naphthalene-1-carboxamide
CID 110440178
N-(3-hydroxypropyl)-1H-indazole-4-carboxamide
CID 110468684
N-(3-formamidopropyl)-1H-indazole-4-carboxamide
CID 110468696
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1H-indazole-4-carboxamide
CID 120947793
N-[2-[(2,4-difluorobenzoyl)amino]ethyl]-1H-indazole-4-carboxamide
CID 51101844
2,6-difluoro-N-(1H-pyrrol-2-ylmethyl)benzamide
CID 110468489
N-(1H-pyrrol-2-ylmethyl)-1H-pyrrole-2-carboxamide
CID 110445345
N-(oxolan-2-ylmethyl)-1H-indazole-4-carboxamide
CID 47330976
N-[[6-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-1H-indazole-4-carboxamide
CID 155167440
N,N'-bis(1H-pyrrol-2-ylmethyl)oxamide
CID 126500406
N-(1H-pyrazol-4-ylmethyl)-1H-indole-4-carboxamide
CID 61003404
3-(1H-pyrazol-4-yl)-N-(1H-pyrrol-2-ylmethyl)benzamide
CID 110486697

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrrol-2-ylmethyl)-1H-indazole-4-carboxamide?
The IUPAC name of N-(1H-pyrrol-2-ylmethyl)-1H-indazole-4-carboxamide (CID 110468689) is N-(1H-pyrrol-2-ylmethyl)-1H-indazole-4-carboxamide.
What is the SMILES notation for N-(1H-pyrrol-2-ylmethyl)-1H-indazole-4-carboxamide?
The canonical SMILES for N-(1H-pyrrol-2-ylmethyl)-1H-indazole-4-carboxamide is O=C(NCc1ccc[nH]1)c1cccc2[nH]ncc12.
What is the InChIKey of N-(1H-pyrrol-2-ylmethyl)-1H-indazole-4-carboxamide?
The InChIKey is MNJRUDSKFDHWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c18-13(15-7-9-3-2-6-14-9)10-4-1-5-12-11(10)8-16-17-12/h1-6,8,14H,7H2,(H,15,18)(H,16,17).
What are the key properties of N-(1H-pyrrol-2-ylmethyl)-1H-indazole-4-carboxamide?
N-(1H-pyrrol-2-ylmethyl)-1H-indazole-4-carboxamide has a molecular weight of 240.27 g/mol, XLogP of 1.82, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrrol-2-ylmethyl)-1H-indazole-4-carboxamide is sourced from PubChem (CID 110468689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).