N-(4-iodo-2-methylphenyl)-5-propyl-1H-pyrazole-3-carboxamide

C14H16IN3O — CID 55554654

IUPACN-(4-iodo-2-methylphenyl)-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)Nc2ccc(I)cc2C)n[nH]1
InChIInChI=1S/C14H16IN3O/c1-3-4-11-8-13(18-17-11)14(19)16-12-6-5-10(15)7-9(12)2/h5-8H,3-4H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyIDPWBONJVVSYMZ-UHFFFAOYSA-N
MW369.21 g/mol
LogP3.53
Rot. Bonds4

About N-(4-iodo-2-methylphenyl)-5-propyl-1H-pyrazole-3-carboxamide

N-(4-iodo-2-methylphenyl)-5-propyl-1H-pyrazole-3-carboxamide (PubChem CID 55554654) has the molecular formula C14H16IN3O and a molecular weight of 369.21 g/mol. Its IUPAC name is N-(4-iodo-2-methylphenyl)-5-propyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-iodo-2-methylphenyl)-5-propyl-1H-pyrazole-3-carboxamide
PubChem CID55554654
Molecular FormulaC14H16IN3O
Molecular Weight369.21 g/mol
Exact Mass369.03
IUPAC NameN-(4-iodo-2-methylphenyl)-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)Nc2ccc(I)cc2C)n[nH]1
InChIInChI=1S/C14H16IN3O/c1-3-4-11-8-13(18-17-11)14(19)16-12-6-5-10(15)7-9(12)2/h5-8H,3-4H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyIDPWBONJVVSYMZ-UHFFFAOYSA-N
XLogP3.53
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.21
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dimethylphenyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 55555026
N-naphthalen-1-yl-5-propyl-1H-pyrazole-3-carboxamide
CID 25353565
N-(2,4-dimethylphenyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 20865070
ethyl N-[2-methyl-3-[(5-propyl-1H-pyrazole-3-carbonyl)amino]phenyl]carbamate
CID 86822321
N-(3-acetamidophenyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 36709127
N-(2-phenoxyphenyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 37140229
N'-(2-chlorobenzoyl)-5-propyl-1H-pyrazole-3-carbohydrazide
CID 24671907
2-(ethylamino)-N-(4-iodo-2-methylphenyl)acetamide
CID 4799659
N-pentyl-5-propyl-1H-pyrazole-3-carboxamide
CID 36701505
N-(1H-benzimidazol-2-yl)-5-propyl-1H-pyrazole-3-carboxamide
CID 60551015
4-chloro-N-(4-iodo-2-methylphenyl)pyridine-2-carboxamide
CID 60656369
trans-(1R,2R)-2-[4-[(5-propyl-1H-pyrazole-3-carbonyl)amino]phenyl]cyclopropane-1-carboxylic acid
CID 138038240

Frequently Asked Questions

What is the IUPAC name of N-(4-iodo-2-methylphenyl)-5-propyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(4-iodo-2-methylphenyl)-5-propyl-1H-pyrazole-3-carboxamide (CID 55554654) is N-(4-iodo-2-methylphenyl)-5-propyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(4-iodo-2-methylphenyl)-5-propyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(4-iodo-2-methylphenyl)-5-propyl-1H-pyrazole-3-carboxamide is CCCc1cc(C(=O)Nc2ccc(I)cc2C)n[nH]1.
What is the InChIKey of N-(4-iodo-2-methylphenyl)-5-propyl-1H-pyrazole-3-carboxamide?
The InChIKey is IDPWBONJVVSYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16IN3O/c1-3-4-11-8-13(18-17-11)14(19)16-12-6-5-10(15)7-9(12)2/h5-8H,3-4H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of N-(4-iodo-2-methylphenyl)-5-propyl-1H-pyrazole-3-carboxamide?
N-(4-iodo-2-methylphenyl)-5-propyl-1H-pyrazole-3-carboxamide has a molecular weight of 369.21 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodo-2-methylphenyl)-5-propyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 55554654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).