3-amino-5-[4-[(2-fluorophenyl)methyl]phenyl]-1H-pyrazole-4-carboxamide

C17H15FN4O — CID 126748750

IUPAC3-amino-5-[4-[(2-fluorophenyl)methyl]phenyl]-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1c(N)n[nH]c1-c1ccc(Cc2ccccc2F)cc1
InChIInChI=1S/C17H15FN4O/c18-13-4-2-1-3-12(13)9-10-5-7-11(8-6-10)15-14(17(20)23)16(19)22-21-15/h1-8H,9H2,(H2,20,23)(H3,19,21,22)
InChIKeySHPHGVAODLEJCD-UHFFFAOYSA-N
MW310.33 g/mol
LogP2.49
Rot. Bonds4

About 3-amino-5-[4-[(2-fluorophenyl)methyl]phenyl]-1H-pyrazole-4-carboxamide

3-amino-5-[4-[(2-fluorophenyl)methyl]phenyl]-1H-pyrazole-4-carboxamide (PubChem CID 126748750) has the molecular formula C17H15FN4O and a molecular weight of 310.33 g/mol. Its IUPAC name is 3-amino-5-[4-[(2-fluorophenyl)methyl]phenyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-[4-[(2-fluorophenyl)methyl]phenyl]-1H-pyrazole-4-carboxamide
PubChem CID126748750
Molecular FormulaC17H15FN4O
Molecular Weight310.33 g/mol
Exact Mass310.12
IUPAC Name3-amino-5-[4-[(2-fluorophenyl)methyl]phenyl]-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1c(N)n[nH]c1-c1ccc(Cc2ccccc2F)cc1
InChIInChI=1S/C17H15FN4O/c18-13-4-2-1-3-12(13)9-10-5-7-11(8-6-10)15-14(17(20)23)16(19)22-21-15/h1-8H,9H2,(H2,20,23)(H3,19,21,22)
InChIKeySHPHGVAODLEJCD-UHFFFAOYSA-N
XLogP2.49
TPSA97.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-5-[4-[(2,4-difluorophenyl)methyl]phenyl]-1H-pyrazole-4-carboxamide
CID 144618606
5-(4-benzylphenyl)-4-iodo-1H-pyrazol-3-amine
CID 3766427
[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(3-hydroxyphenyl)methanone
CID 70102797
3-amino-5-[(3,4-dichlorophenyl)methyl]-1H-pyrazole-4-carboxamide
CID 149128882
[5-[3-amino-4-[(2-fluorophenyl)methyl]-1H-pyrazol-5-yl]furan-2-yl]methanol
CID 67604286
3-(dimethylamino)-5-phenyl-1H-pyrazole-4-carboxamide
CID 71031561
4-[(2-fluorophenyl)methyl]pyridine
CID 23294432
5-(4-aminophenyl)-3-(pyridin-2-ylamino)-1H-pyrazole-4-carboxamide
CID 170044357
3-amino-N-[(2-fluorophenyl)methyl]-1H-pyrazole-5-carboxamide
CID 64524798
3-amino-5-phenyl-1H-pyrazole-4-carbaldehyde
CID 15687152
2-(2-fluorophenyl)acetamide;hydrochloride
CID 68904503
N-[3-(3-amino-5-phenyl-1H-pyrazole-4-carbonyl)phenyl]acetamide
CID 24861475

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[4-[(2-fluorophenyl)methyl]phenyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-amino-5-[4-[(2-fluorophenyl)methyl]phenyl]-1H-pyrazole-4-carboxamide (CID 126748750) is 3-amino-5-[4-[(2-fluorophenyl)methyl]phenyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-[4-[(2-fluorophenyl)methyl]phenyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-amino-5-[4-[(2-fluorophenyl)methyl]phenyl]-1H-pyrazole-4-carboxamide is NC(=O)c1c(N)n[nH]c1-c1ccc(Cc2ccccc2F)cc1.
What is the InChIKey of 3-amino-5-[4-[(2-fluorophenyl)methyl]phenyl]-1H-pyrazole-4-carboxamide?
The InChIKey is SHPHGVAODLEJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O/c18-13-4-2-1-3-12(13)9-10-5-7-11(8-6-10)15-14(17(20)23)16(19)22-21-15/h1-8H,9H2,(H2,20,23)(H3,19,21,22).
What are the key properties of 3-amino-5-[4-[(2-fluorophenyl)methyl]phenyl]-1H-pyrazole-4-carboxamide?
3-amino-5-[4-[(2-fluorophenyl)methyl]phenyl]-1H-pyrazole-4-carboxamide has a molecular weight of 310.33 g/mol, XLogP of 2.49, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[4-[(2-fluorophenyl)methyl]phenyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 126748750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).