N-[1-(aminomethyl)cyclopentyl]-1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide

C16H24N4OS — CID 119567082

IUPACN-[1-(aminomethyl)cyclopentyl]-1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCC(C)c1nn(C)c2sc(C(=O)NC3(CN)CCCC3)cc12
InChIInChI=1S/C16H24N4OS/c1-10(2)13-11-8-12(22-15(11)20(3)19-13)14(21)18-16(9-17)6-4-5-7-16/h8,10H,4-7,9,17H2,1-3H3,(H,18,21)
InChIKeyJRUZKXZQSXJHCN-UHFFFAOYSA-N
MW320.46 g/mol
LogP2.76
Rot. Bonds4

About N-[1-(aminomethyl)cyclopentyl]-1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide

N-[1-(aminomethyl)cyclopentyl]-1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 119567082) has the molecular formula C16H24N4OS and a molecular weight of 320.46 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID119567082
Molecular FormulaC16H24N4OS
Molecular Weight320.46 g/mol
Exact Mass320.17
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCC(C)c1nn(C)c2sc(C(=O)NC3(CN)CCCC3)cc12
InChIInChI=1S/C16H24N4OS/c1-10(2)13-11-8-12(22-15(11)20(3)19-13)14(21)18-16(9-17)6-4-5-7-16/h8,10H,4-7,9,17H2,1-3H3,(H,18,21)
InChIKeyJRUZKXZQSXJHCN-UHFFFAOYSA-N
XLogP2.76
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide (CID 119567082) is N-[1-(aminomethyl)cyclopentyl]-1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide is CC(C)c1nn(C)c2sc(C(=O)NC3(CN)CCCC3)cc12.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is JRUZKXZQSXJHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4OS/c1-10(2)13-11-8-12(22-15(11)20(3)19-13)14(21)18-16(9-17)6-4-5-7-16/h8,10H,4-7,9,17H2,1-3H3,(H,18,21).
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide?
N-[1-(aminomethyl)cyclopentyl]-1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 320.46 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 119567082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).