N-[1-[(4-cyano-5-methyl-1H-pyrazol-3-yl)amino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide

C16H15N7O2 — CID 154794888

IUPACN-[1-[(4-cyano-5-methyl-1H-pyrazol-3-yl)amino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
SMILESCc1[nH]nc(NC(=O)C(C)NC(=O)c2n[nH]c3ccccc23)c1C#N
InChIInChI=1S/C16H15N7O2/c1-8-11(7-17)14(23-20-8)19-15(24)9(2)18-16(25)13-10-5-3-4-6-12(10)21-22-13/h3-6,9H,1-2H3,(H,18,25)(H,21,22)(H2,19,20,23,24)
InChIKeyJUJBWRZVCZMDOI-UHFFFAOYSA-N
MW337.34 g/mol
LogP1.22
Rot. Bonds4

About N-[1-[(4-cyano-5-methyl-1H-pyrazol-3-yl)amino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide

N-[1-[(4-cyano-5-methyl-1H-pyrazol-3-yl)amino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide (PubChem CID 154794888) has the molecular formula C16H15N7O2 and a molecular weight of 337.34 g/mol. Its IUPAC name is N-[1-[(4-cyano-5-methyl-1H-pyrazol-3-yl)amino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-cyano-5-methyl-1H-pyrazol-3-yl)amino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
PubChem CID154794888
Molecular FormulaC16H15N7O2
Molecular Weight337.34 g/mol
Exact Mass337.13
IUPAC NameN-[1-[(4-cyano-5-methyl-1H-pyrazol-3-yl)amino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
SMILESCc1[nH]nc(NC(=O)C(C)NC(=O)c2n[nH]c3ccccc23)c1C#N
InChIInChI=1S/C16H15N7O2/c1-8-11(7-17)14(23-20-8)19-15(24)9(2)18-16(25)13-10-5-3-4-6-12(10)21-22-13/h3-6,9H,1-2H3,(H,18,25)(H,21,22)(H2,19,20,23,24)
InChIKeyJUJBWRZVCZMDOI-UHFFFAOYSA-N
XLogP1.22
TPSA139.35 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 51.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3,5-dimethylanilino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 170858477
N-[1-(2-methylsulfanylanilino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 170858626
N-[1-(4-carbamoylanilino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 170858589
N-[1-[2-(ethylaminomethyl)anilino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 119440855
N-[1-[2-(ethylamino)ethylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 119509484
(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(1H-indazole-3-carbonylamino)acetic acid
CID 95207525
ethyl (3R)-4-[[(2S)-2-(1H-indazole-3-carbonylamino)propanoyl]amino]-3-methylbutanoate
CID 97247416
N-(3-ethylpentan-2-yl)-1H-indazole-3-carboxamide
CID 63851037
N-[1-(cyclohexylmethylamino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 170858431
N-[1-[3-(furan-3-carbonylamino)anilino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 86887339
N-[(2R)-1-(benzimidazol-1-ylamino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 94750012
N-[1-[2-[(3,4-dichlorobenzoyl)amino]ethylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 86887302

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-cyano-5-methyl-1H-pyrazol-3-yl)amino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[1-[(4-cyano-5-methyl-1H-pyrazol-3-yl)amino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide (CID 154794888) is N-[1-[(4-cyano-5-methyl-1H-pyrazol-3-yl)amino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[1-[(4-cyano-5-methyl-1H-pyrazol-3-yl)amino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[1-[(4-cyano-5-methyl-1H-pyrazol-3-yl)amino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide is Cc1[nH]nc(NC(=O)C(C)NC(=O)c2n[nH]c3ccccc23)c1C#N.
What is the InChIKey of N-[1-[(4-cyano-5-methyl-1H-pyrazol-3-yl)amino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide?
The InChIKey is JUJBWRZVCZMDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7O2/c1-8-11(7-17)14(23-20-8)19-15(24)9(2)18-16(25)13-10-5-3-4-6-12(10)21-22-13/h3-6,9H,1-2H3,(H,18,25)(H,21,22)(H2,19,20,23,24).
What are the key properties of N-[1-[(4-cyano-5-methyl-1H-pyrazol-3-yl)amino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide?
N-[1-[(4-cyano-5-methyl-1H-pyrazol-3-yl)amino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide has a molecular weight of 337.34 g/mol, XLogP of 1.22, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-cyano-5-methyl-1H-pyrazol-3-yl)amino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 154794888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).