N-cyclopentyl-N-[(5-methylthiophen-2-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide

C18H25N3OS — CID 70783309

IUPACN-cyclopentyl-N-[(5-methylthiophen-2-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCc1ccc(CN(C(=O)c2cnn(C(C)C)c2)C2CCCC2)s1
InChIInChI=1S/C18H25N3OS/c1-13(2)21-11-15(10-19-21)18(22)20(16-6-4-5-7-16)12-17-9-8-14(3)23-17/h8-11,13,16H,4-7,12H2,1-3H3
InChIKeyVSSLCVCKZBCCQT-UHFFFAOYSA-N
MW331.49 g/mol
LogP4.42
Rot. Bonds5

About N-cyclopentyl-N-[(5-methylthiophen-2-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide

N-cyclopentyl-N-[(5-methylthiophen-2-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 70783309) has the molecular formula C18H25N3OS and a molecular weight of 331.49 g/mol. Its IUPAC name is N-cyclopentyl-N-[(5-methylthiophen-2-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-N-[(5-methylthiophen-2-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide
PubChem CID70783309
Molecular FormulaC18H25N3OS
Molecular Weight331.49 g/mol
Exact Mass331.17
IUPAC NameN-cyclopentyl-N-[(5-methylthiophen-2-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCc1ccc(CN(C(=O)c2cnn(C(C)C)c2)C2CCCC2)s1
InChIInChI=1S/C18H25N3OS/c1-13(2)21-11-15(10-19-21)18(22)20(16-6-4-5-7-16)12-17-9-8-14(3)23-17/h8-11,13,16H,4-7,12H2,1-3H3
InChIKeyVSSLCVCKZBCCQT-UHFFFAOYSA-N
XLogP4.42
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.49
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[(5-methylthiophen-2-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-cyclopentyl-N-[(5-methylthiophen-2-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide (CID 70783309) is N-cyclopentyl-N-[(5-methylthiophen-2-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-N-[(5-methylthiophen-2-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-cyclopentyl-N-[(5-methylthiophen-2-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide is Cc1ccc(CN(C(=O)c2cnn(C(C)C)c2)C2CCCC2)s1.
What is the InChIKey of N-cyclopentyl-N-[(5-methylthiophen-2-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is VSSLCVCKZBCCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3OS/c1-13(2)21-11-15(10-19-21)18(22)20(16-6-4-5-7-16)12-17-9-8-14(3)23-17/h8-11,13,16H,4-7,12H2,1-3H3.
What are the key properties of N-cyclopentyl-N-[(5-methylthiophen-2-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide?
N-cyclopentyl-N-[(5-methylthiophen-2-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 331.49 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-[(5-methylthiophen-2-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 70783309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).