4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-5-propyl-1H-pyrazole-3-carboxamide

C14H20N4OS — CID 65241562

IUPAC4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1[nH]nc(C(=O)NCc2cc(C)c(C)s2)c1N
InChIInChI=1S/C14H20N4OS/c1-4-5-11-12(15)13(18-17-11)14(19)16-7-10-6-8(2)9(3)20-10/h6H,4-5,7,15H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyKQSJLXZLZCJQGW-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.55
Rot. Bonds5

About 4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-5-propyl-1H-pyrazole-3-carboxamide

4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-5-propyl-1H-pyrazole-3-carboxamide (PubChem CID 65241562) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-5-propyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
PubChem CID65241562
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1[nH]nc(C(=O)NCc2cc(C)c(C)s2)c1N
InChIInChI=1S/C14H20N4OS/c1-4-5-11-12(15)13(18-17-11)14(19)16-7-10-6-8(2)9(3)20-10/h6H,4-5,7,15H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyKQSJLXZLZCJQGW-UHFFFAOYSA-N
XLogP2.55
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[(3-methylphenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 62077427
4-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 106368577
4-amino-N-[(4-ethylphenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 106899103
4-amino-N-[(3-methyl-4-pyridinyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 114698169
4-amino-N-[(3,4-difluorophenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 62076796
4-amino-5-propyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide
CID 79223369
4-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 62076450
4-amino-N-(2,2-difluoroethyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 115405291
4-amino-N-(2-methoxyethyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 62075273
4-amino-N-(2-methylsulfanylethyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 63981757
4-amino-N-tert-butyl-5-propyl-1H-pyrazole-3-carboxamide
CID 62075103
4-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 115988894

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-5-propyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-5-propyl-1H-pyrazole-3-carboxamide (CID 65241562) is 4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-5-propyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-5-propyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-5-propyl-1H-pyrazole-3-carboxamide is CCCc1[nH]nc(C(=O)NCc2cc(C)c(C)s2)c1N.
What is the InChIKey of 4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-5-propyl-1H-pyrazole-3-carboxamide?
The InChIKey is KQSJLXZLZCJQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-4-5-11-12(15)13(18-17-11)14(19)16-7-10-6-8(2)9(3)20-10/h6H,4-5,7,15H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of 4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-5-propyl-1H-pyrazole-3-carboxamide?
4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-5-propyl-1H-pyrazole-3-carboxamide has a molecular weight of 292.41 g/mol, XLogP of 2.55, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-5-propyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 65241562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).