4-amino-N-(4-methylsulfanylphenyl)-5-propyl-1H-pyrazole-3-carboxamide

C14H18N4OS — CID 62075447

IUPAC4-amino-N-(4-methylsulfanylphenyl)-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1[nH]nc(C(=O)Nc2ccc(SC)cc2)c1N
InChIInChI=1S/C14H18N4OS/c1-3-4-11-12(15)13(18-17-11)14(19)16-9-5-7-10(20-2)8-6-9/h5-8H,3-4,15H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyYISKJNIYHAWOPQ-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.92
Rot. Bonds5

About 4-amino-N-(4-methylsulfanylphenyl)-5-propyl-1H-pyrazole-3-carboxamide

4-amino-N-(4-methylsulfanylphenyl)-5-propyl-1H-pyrazole-3-carboxamide (PubChem CID 62075447) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 4-amino-N-(4-methylsulfanylphenyl)-5-propyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-methylsulfanylphenyl)-5-propyl-1H-pyrazole-3-carboxamide
PubChem CID62075447
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name4-amino-N-(4-methylsulfanylphenyl)-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1[nH]nc(C(=O)Nc2ccc(SC)cc2)c1N
InChIInChI=1S/C14H18N4OS/c1-3-4-11-12(15)13(18-17-11)14(19)16-9-5-7-10(20-2)8-6-9/h5-8H,3-4,15H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyYISKJNIYHAWOPQ-UHFFFAOYSA-N
XLogP2.92
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(4-cyanophenyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 62075916
4-amino-N-(2-methylsulfanylethyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 63981757
4-amino-N-(2-fluoro-5-methylphenyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 62076748
4-amino-N-(3-fluoro-2-methylphenyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 62077102
4-amino-5-ethyl-N-(4-propan-2-ylphenyl)-1H-pyrazole-3-carboxamide
CID 62082857
4-amino-N-(2,4-dichlorophenyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 62075125
4-amino-N-[(4-ethylphenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 106899103
4-amino-N-tert-butyl-5-propyl-1H-pyrazole-3-carboxamide
CID 62075103
4-amino-N-(4-fluoro-2-methoxyphenyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 62077093
4-amino-N-(4-butylphenyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 62081041
4-amino-N-[(3,4-difluorophenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 62076796
4-amino-N-(1,3-dimethylpyrazol-4-yl)-5-propyl-1H-pyrazole-3-carboxamide
CID 102803199

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-methylsulfanylphenyl)-5-propyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(4-methylsulfanylphenyl)-5-propyl-1H-pyrazole-3-carboxamide (CID 62075447) is 4-amino-N-(4-methylsulfanylphenyl)-5-propyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(4-methylsulfanylphenyl)-5-propyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(4-methylsulfanylphenyl)-5-propyl-1H-pyrazole-3-carboxamide is CCCc1[nH]nc(C(=O)Nc2ccc(SC)cc2)c1N.
What is the InChIKey of 4-amino-N-(4-methylsulfanylphenyl)-5-propyl-1H-pyrazole-3-carboxamide?
The InChIKey is YISKJNIYHAWOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-3-4-11-12(15)13(18-17-11)14(19)16-9-5-7-10(20-2)8-6-9/h5-8H,3-4,15H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 4-amino-N-(4-methylsulfanylphenyl)-5-propyl-1H-pyrazole-3-carboxamide?
4-amino-N-(4-methylsulfanylphenyl)-5-propyl-1H-pyrazole-3-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 2.92, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-methylsulfanylphenyl)-5-propyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62075447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).