N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-iodo-1H-pyrazole-5-carboxamide

C14H11FIN5O — CID 19479975

IUPACN-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-iodo-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccn(Cc2cccc(F)c2)n1)c1[nH]ncc1I
InChIInChI=1S/C14H11FIN5O/c15-10-3-1-2-9(6-10)8-21-5-4-12(20-21)18-14(22)13-11(16)7-17-19-13/h1-7H,8H2,(H,17,19)(H,18,20,22)
InChIKeyOGASVLVSIJKBJO-UHFFFAOYSA-N
MW411.18 g/mol
LogP2.65
Rot. Bonds4

About N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-iodo-1H-pyrazole-5-carboxamide

N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-iodo-1H-pyrazole-5-carboxamide (PubChem CID 19479975) has the molecular formula C14H11FIN5O and a molecular weight of 411.18 g/mol. Its IUPAC name is N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-iodo-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-iodo-1H-pyrazole-5-carboxamide
PubChem CID19479975
Molecular FormulaC14H11FIN5O
Molecular Weight411.18 g/mol
Exact Mass411.00
IUPAC NameN-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-iodo-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccn(Cc2cccc(F)c2)n1)c1[nH]ncc1I
InChIInChI=1S/C14H11FIN5O/c15-10-3-1-2-9(6-10)8-21-5-4-12(20-21)18-14(22)13-11(16)7-17-19-13/h1-7H,8H2,(H,17,19)(H,18,20,22)
InChIKeyOGASVLVSIJKBJO-UHFFFAOYSA-N
XLogP2.65
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.18
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-4-iodo-1H-pyrazole-5-carboxamide
CID 19479942
N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]cyclopropanecarboxamide
CID 19407415
N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]butanamide
CID 19404982
4,5-dibromo-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide
CID 19404881
3-cyano-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19404955
N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-2-methylfuran-3-carboxamide
CID 35274293
N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-iodo-3-methylpyrazol-1-yl)propanamide
CID 19550032
5,7-bis(difluoromethyl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19404889
4-chloro-1-ethyl-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
CID 19263447
N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
CID 19407437
3-(4-chloropyrazol-1-yl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]propanamide
CID 19539633
N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-4-iodo-1H-pyrazole-5-carboxamide
CID 19479897

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-iodo-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-iodo-1H-pyrazole-5-carboxamide (CID 19479975) is N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-iodo-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-iodo-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-iodo-1H-pyrazole-5-carboxamide is O=C(Nc1ccn(Cc2cccc(F)c2)n1)c1[nH]ncc1I.
What is the InChIKey of N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-iodo-1H-pyrazole-5-carboxamide?
The InChIKey is OGASVLVSIJKBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FIN5O/c15-10-3-1-2-9(6-10)8-21-5-4-12(20-21)18-14(22)13-11(16)7-17-19-13/h1-7H,8H2,(H,17,19)(H,18,20,22).
What are the key properties of N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-iodo-1H-pyrazole-5-carboxamide?
N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-iodo-1H-pyrazole-5-carboxamide has a molecular weight of 411.18 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-iodo-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19479975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).