N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-1H-indazole-3-carboxamide

C19H18N4O2 — CID 17471128

IUPACN-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-1H-indazole-3-carboxamide
SMILESO=C(NCc1ccc(NC(=O)C2CC2)cc1)c1n[nH]c2ccccc12
InChIInChI=1S/C19H18N4O2/c24-18(13-7-8-13)21-14-9-5-12(6-10-14)11-20-19(25)17-15-3-1-2-4-16(15)22-23-17/h1-6,9-10,13H,7-8,11H2,(H,20,25)(H,21,24)(H,22,23)
InChIKeyDZWATKMDXJTXKF-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.84
Rot. Bonds5

About N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-1H-indazole-3-carboxamide

N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-1H-indazole-3-carboxamide (PubChem CID 17471128) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-1H-indazole-3-carboxamide
PubChem CID17471128
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC NameN-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-1H-indazole-3-carboxamide
SMILESO=C(NCc1ccc(NC(=O)C2CC2)cc1)c1n[nH]c2ccccc12
InChIInChI=1S/C19H18N4O2/c24-18(13-7-8-13)21-14-9-5-12(6-10-14)11-20-19(25)17-15-3-1-2-4-16(15)22-23-17/h1-6,9-10,13H,7-8,11H2,(H,20,25)(H,21,24)(H,22,23)
InChIKeyDZWATKMDXJTXKF-UHFFFAOYSA-N
XLogP2.84
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-acetamidophenyl)methyl]-1H-indazole-3-carboxamide
CID 18154228
N-[[4-(2-methylpropanoylamino)phenyl]methyl]-1H-indazole-3-carboxamide
CID 51332998
N'-(cyclopropanecarbonyl)-1H-indazole-3-carbohydrazide
CID 26799017
N-[(4-cyanophenyl)methyl]-1H-indazole-3-carboxamide
CID 60737768
N-[(4-sulfamoylphenyl)methyl]-1H-indazole-3-carboxamide
CID 16866372
N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-1H-indazole-3-carboxamide
CID 170858384
methyl 4-[[1-(1H-indazole-3-carbonyl)piperidine-4-carbonyl]amino]benzoate
CID 16866419
N-[[4-(3-carbamoylpiperidin-1-yl)phenyl]methyl]-1H-indazole-3-carboxamide
CID 170858740
N'-(cyclohexanecarbonyl)-1H-indazole-3-carbohydrazide
CID 4787464
N-[[4-(diethylsulfamoyl)phenyl]methyl]-1H-indazole-3-carboxamide
CID 9269012
N-[(2-chlorophenyl)methyl]-1H-indazole-3-carboxamide;N-[(4-methylphenyl)methyl]-1H-indazole-3-carboxamide
CID 69079053
N-[4-(4-carbamoylpiperidin-1-yl)phenyl]-1H-indazole-3-carboxamide
CID 51129949

Frequently Asked Questions

What is the IUPAC name of N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-1H-indazole-3-carboxamide (CID 17471128) is N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-1H-indazole-3-carboxamide is O=C(NCc1ccc(NC(=O)C2CC2)cc1)c1n[nH]c2ccccc12.
What is the InChIKey of N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-1H-indazole-3-carboxamide?
The InChIKey is DZWATKMDXJTXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c24-18(13-7-8-13)21-14-9-5-12(6-10-14)11-20-19(25)17-15-3-1-2-4-16(15)22-23-17/h1-6,9-10,13H,7-8,11H2,(H,20,25)(H,21,24)(H,22,23).
What are the key properties of N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-1H-indazole-3-carboxamide?
N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-1H-indazole-3-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 2.84, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 17471128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).