N-[1-[3-(4-cyano-3-iodophenyl)pyrazol-1-yl]propan-2-yl]-5-[(1S)-1-hydroxyethyl]-1H-pyrazole-3-carboxamide

C19H19IN6O2 — CID 123852248

IUPACN-[1-[3-(4-cyano-3-iodophenyl)pyrazol-1-yl]propan-2-yl]-5-[(1S)-1-hydroxyethyl]-1H-pyrazole-3-carboxamide
SMILESCC(Cn1ccc(-c2ccc(C#N)c(I)c2)n1)NC(=O)c1cc([C@H](C)O)[nH]n1
InChIInChI=1S/C19H19IN6O2/c1-11(22-19(28)18-8-17(12(2)27)23-24-18)10-26-6-5-16(25-26)13-3-4-14(9-21)15(20)7-13/h3-8,11-12,27H,10H2,1-2H3,(H,22,28)(H,23,24)/t11?,12-/m0/s1
InChIKeyFJYVJLHSWMWLAL-KIYNQFGBSA-N
MW490.31 g/mol
LogP2.62
Rot. Bonds6

About N-[1-[3-(4-cyano-3-iodophenyl)pyrazol-1-yl]propan-2-yl]-5-[(1S)-1-hydroxyethyl]-1H-pyrazole-3-carboxamide

N-[1-[3-(4-cyano-3-iodophenyl)pyrazol-1-yl]propan-2-yl]-5-[(1S)-1-hydroxyethyl]-1H-pyrazole-3-carboxamide (PubChem CID 123852248) has the molecular formula C19H19IN6O2 and a molecular weight of 490.31 g/mol. Its IUPAC name is N-[1-[3-(4-cyano-3-iodophenyl)pyrazol-1-yl]propan-2-yl]-5-[(1S)-1-hydroxyethyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(4-cyano-3-iodophenyl)pyrazol-1-yl]propan-2-yl]-5-[(1S)-1-hydroxyethyl]-1H-pyrazole-3-carboxamide
PubChem CID123852248
Molecular FormulaC19H19IN6O2
Molecular Weight490.31 g/mol
Exact Mass490.06
IUPAC NameN-[1-[3-(4-cyano-3-iodophenyl)pyrazol-1-yl]propan-2-yl]-5-[(1S)-1-hydroxyethyl]-1H-pyrazole-3-carboxamide
SMILESCC(Cn1ccc(-c2ccc(C#N)c(I)c2)n1)NC(=O)c1cc([C@H](C)O)[nH]n1
InChIInChI=1S/C19H19IN6O2/c1-11(22-19(28)18-8-17(12(2)27)23-24-18)10-26-6-5-16(25-26)13-3-4-14(9-21)15(20)7-13/h3-8,11-12,27H,10H2,1-2H3,(H,22,28)(H,23,24)/t11?,12-/m0/s1
InChIKeyFJYVJLHSWMWLAL-KIYNQFGBSA-N
XLogP2.62
TPSA119.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.31
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(4-cyano-3-iodophenyl)pyrazol-1-yl]propan-2-yl]-5-[(1S)-1-hydroxyethyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[1-[3-(4-cyano-3-iodophenyl)pyrazol-1-yl]propan-2-yl]-5-[(1S)-1-hydroxyethyl]-1H-pyrazole-3-carboxamide (CID 123852248) is N-[1-[3-(4-cyano-3-iodophenyl)pyrazol-1-yl]propan-2-yl]-5-[(1S)-1-hydroxyethyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[1-[3-(4-cyano-3-iodophenyl)pyrazol-1-yl]propan-2-yl]-5-[(1S)-1-hydroxyethyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[1-[3-(4-cyano-3-iodophenyl)pyrazol-1-yl]propan-2-yl]-5-[(1S)-1-hydroxyethyl]-1H-pyrazole-3-carboxamide is CC(Cn1ccc(-c2ccc(C#N)c(I)c2)n1)NC(=O)c1cc([C@H](C)O)[nH]n1.
What is the InChIKey of N-[1-[3-(4-cyano-3-iodophenyl)pyrazol-1-yl]propan-2-yl]-5-[(1S)-1-hydroxyethyl]-1H-pyrazole-3-carboxamide?
The InChIKey is FJYVJLHSWMWLAL-KIYNQFGBSA-N. The full InChI is InChI=1S/C19H19IN6O2/c1-11(22-19(28)18-8-17(12(2)27)23-24-18)10-26-6-5-16(25-26)13-3-4-14(9-21)15(20)7-13/h3-8,11-12,27H,10H2,1-2H3,(H,22,28)(H,23,24)/t11?,12-/m0/s1.
What are the key properties of N-[1-[3-(4-cyano-3-iodophenyl)pyrazol-1-yl]propan-2-yl]-5-[(1S)-1-hydroxyethyl]-1H-pyrazole-3-carboxamide?
N-[1-[3-(4-cyano-3-iodophenyl)pyrazol-1-yl]propan-2-yl]-5-[(1S)-1-hydroxyethyl]-1H-pyrazole-3-carboxamide has a molecular weight of 490.31 g/mol, XLogP of 2.62, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(4-cyano-3-iodophenyl)pyrazol-1-yl]propan-2-yl]-5-[(1S)-1-hydroxyethyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 123852248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).