N-[3-(4-chloropyrazol-1-yl)propyl]-4-iodo-1H-pyrazole-5-carboxamide

C10H11ClIN5O — CID 19479985

IUPACN-[3-(4-chloropyrazol-1-yl)propyl]-4-iodo-1H-pyrazole-5-carboxamide
SMILESO=C(NCCCn1cc(Cl)cn1)c1[nH]ncc1I
InChIInChI=1S/C10H11ClIN5O/c11-7-4-15-17(6-7)3-1-2-13-10(18)9-8(12)5-14-16-9/h4-6H,1-3H2,(H,13,18)(H,14,16)
InChIKeyAUFBMMTWZGHTOT-UHFFFAOYSA-N
MW379.59 g/mol
LogP1.68
Rot. Bonds5

About N-[3-(4-chloropyrazol-1-yl)propyl]-4-iodo-1H-pyrazole-5-carboxamide

N-[3-(4-chloropyrazol-1-yl)propyl]-4-iodo-1H-pyrazole-5-carboxamide (PubChem CID 19479985) has the molecular formula C10H11ClIN5O and a molecular weight of 379.59 g/mol. Its IUPAC name is N-[3-(4-chloropyrazol-1-yl)propyl]-4-iodo-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(4-chloropyrazol-1-yl)propyl]-4-iodo-1H-pyrazole-5-carboxamide
PubChem CID19479985
Molecular FormulaC10H11ClIN5O
Molecular Weight379.59 g/mol
Exact Mass378.97
IUPAC NameN-[3-(4-chloropyrazol-1-yl)propyl]-4-iodo-1H-pyrazole-5-carboxamide
SMILESO=C(NCCCn1cc(Cl)cn1)c1[nH]ncc1I
InChIInChI=1S/C10H11ClIN5O/c11-7-4-15-17(6-7)3-1-2-13-10(18)9-8(12)5-14-16-9/h4-6H,1-3H2,(H,13,18)(H,14,16)
InChIKeyAUFBMMTWZGHTOT-UHFFFAOYSA-N
XLogP1.68
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.59
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-[2-(4-chloropyrazol-1-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 19283381
N-[3-(4-bromopyrazol-1-yl)propyl]-4-chloro-1H-pyrazole-5-carboxamide
CID 19295823
N-[3-(4-chloropyrazol-1-yl)propyl]acetamide
CID 19331985
4-chloro-N-(3-pyrazol-1-ylpropyl)-1H-pyrazole-5-carboxamide
CID 19479469
N-(2-fluoroethyl)-4-iodo-1H-pyrazole-5-carboxamide
CID 130614280
N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-4-iodo-1H-pyrazole-5-carboxamide
CID 19479897
N-[3-(4-chloropyrazol-1-yl)propyl]-1-methylimidazole-4-carboxamide
CID 118781993
N-[3-(4-chloropyrazol-1-yl)propyl]cyclopropanecarboxamide
CID 19330222
N-[2-(4-chloropyrazol-1-yl)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 72913584
2-(4-chloropyrazol-1-yl)-N-[3-(4-chloropyrazol-1-yl)propyl]propanamide
CID 19538607
4-bromo-N-[3-(4-chloropyrazol-1-yl)propyl]-1,3-dimethylpyrazole-5-carboxamide
CID 19480524
N-[3-(4-chloropyrazol-1-yl)propyl]-1-(methoxymethyl)pyrazole-3-carboxamide
CID 19270945

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chloropyrazol-1-yl)propyl]-4-iodo-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[3-(4-chloropyrazol-1-yl)propyl]-4-iodo-1H-pyrazole-5-carboxamide (CID 19479985) is N-[3-(4-chloropyrazol-1-yl)propyl]-4-iodo-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[3-(4-chloropyrazol-1-yl)propyl]-4-iodo-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[3-(4-chloropyrazol-1-yl)propyl]-4-iodo-1H-pyrazole-5-carboxamide is O=C(NCCCn1cc(Cl)cn1)c1[nH]ncc1I.
What is the InChIKey of N-[3-(4-chloropyrazol-1-yl)propyl]-4-iodo-1H-pyrazole-5-carboxamide?
The InChIKey is AUFBMMTWZGHTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClIN5O/c11-7-4-15-17(6-7)3-1-2-13-10(18)9-8(12)5-14-16-9/h4-6H,1-3H2,(H,13,18)(H,14,16).
What are the key properties of N-[3-(4-chloropyrazol-1-yl)propyl]-4-iodo-1H-pyrazole-5-carboxamide?
N-[3-(4-chloropyrazol-1-yl)propyl]-4-iodo-1H-pyrazole-5-carboxamide has a molecular weight of 379.59 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chloropyrazol-1-yl)propyl]-4-iodo-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19479985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).