N-[(1-cyclopentyl-5-cyclopropylpyrazol-3-yl)methyl]-4-methylthiadiazole-5-carboxamide

C16H21N5OS — CID 71808675

IUPACN-[(1-cyclopentyl-5-cyclopropylpyrazol-3-yl)methyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCc1cc(C2CC2)n(C2CCCC2)n1
InChIInChI=1S/C16H21N5OS/c1-10-15(23-20-18-10)16(22)17-9-12-8-14(11-6-7-11)21(19-12)13-4-2-3-5-13/h8,11,13H,2-7,9H2,1H3,(H,17,22)
InChIKeyUHZIDHRYWZFIKD-UHFFFAOYSA-N
MW331.45 g/mol
LogP2.97
Rot. Bonds5

About N-[(1-cyclopentyl-5-cyclopropylpyrazol-3-yl)methyl]-4-methylthiadiazole-5-carboxamide

N-[(1-cyclopentyl-5-cyclopropylpyrazol-3-yl)methyl]-4-methylthiadiazole-5-carboxamide (PubChem CID 71808675) has the molecular formula C16H21N5OS and a molecular weight of 331.45 g/mol. Its IUPAC name is N-[(1-cyclopentyl-5-cyclopropylpyrazol-3-yl)methyl]-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1-cyclopentyl-5-cyclopropylpyrazol-3-yl)methyl]-4-methylthiadiazole-5-carboxamide
PubChem CID71808675
Molecular FormulaC16H21N5OS
Molecular Weight331.45 g/mol
Exact Mass331.15
IUPAC NameN-[(1-cyclopentyl-5-cyclopropylpyrazol-3-yl)methyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCc1cc(C2CC2)n(C2CCCC2)n1
InChIInChI=1S/C16H21N5OS/c1-10-15(23-20-18-10)16(22)17-9-12-8-14(11-6-7-11)21(19-12)13-4-2-3-5-13/h8,11,13H,2-7,9H2,1H3,(H,17,22)
InChIKeyUHZIDHRYWZFIKD-UHFFFAOYSA-N
XLogP2.97
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.45
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentyl-5-cyclopropylpyrazol-3-yl)methyl]-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-[(1-cyclopentyl-5-cyclopropylpyrazol-3-yl)methyl]-4-methylthiadiazole-5-carboxamide (CID 71808675) is N-[(1-cyclopentyl-5-cyclopropylpyrazol-3-yl)methyl]-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[(1-cyclopentyl-5-cyclopropylpyrazol-3-yl)methyl]-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-[(1-cyclopentyl-5-cyclopropylpyrazol-3-yl)methyl]-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)NCc1cc(C2CC2)n(C2CCCC2)n1.
What is the InChIKey of N-[(1-cyclopentyl-5-cyclopropylpyrazol-3-yl)methyl]-4-methylthiadiazole-5-carboxamide?
The InChIKey is UHZIDHRYWZFIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5OS/c1-10-15(23-20-18-10)16(22)17-9-12-8-14(11-6-7-11)21(19-12)13-4-2-3-5-13/h8,11,13H,2-7,9H2,1H3,(H,17,22).
What are the key properties of N-[(1-cyclopentyl-5-cyclopropylpyrazol-3-yl)methyl]-4-methylthiadiazole-5-carboxamide?
N-[(1-cyclopentyl-5-cyclopropylpyrazol-3-yl)methyl]-4-methylthiadiazole-5-carboxamide has a molecular weight of 331.45 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentyl-5-cyclopropylpyrazol-3-yl)methyl]-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 71808675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).