N-[2-[1-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide

C21H29N5O2S — CID 42117268

IUPACN-[2-[1-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
SMILESCC(C)c1nc(C(=O)N2CCC(n3nccc3NC(=O)C3CCCC3)CC2)cs1
InChIInChI=1S/C21H29N5O2S/c1-14(2)20-23-17(13-29-20)21(28)25-11-8-16(9-12-25)26-18(7-10-22-26)24-19(27)15-5-3-4-6-15/h7,10,13-16H,3-6,8-9,11-12H2,1-2H3,(H,24,27)
InChIKeyLXBREDFRIHROBD-UHFFFAOYSA-N
MW415.56 g/mol
LogP4.07
Rot. Bonds5

About N-[2-[1-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide

N-[2-[1-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide (PubChem CID 42117268) has the molecular formula C21H29N5O2S and a molecular weight of 415.56 g/mol. Its IUPAC name is N-[2-[1-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-[1-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
PubChem CID42117268
Molecular FormulaC21H29N5O2S
Molecular Weight415.56 g/mol
Exact Mass415.20
IUPAC NameN-[2-[1-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
SMILESCC(C)c1nc(C(=O)N2CCC(n3nccc3NC(=O)C3CCCC3)CC2)cs1
InChIInChI=1S/C21H29N5O2S/c1-14(2)20-23-17(13-29-20)21(28)25-11-8-16(9-12-25)26-18(7-10-22-26)24-19(27)15-5-3-4-6-15/h7,10,13-16H,3-6,8-9,11-12H2,1-2H3,(H,24,27)
InChIKeyLXBREDFRIHROBD-UHFFFAOYSA-N
XLogP4.07
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide?
The IUPAC name of N-[2-[1-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide (CID 42117268) is N-[2-[1-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-[1-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-[1-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide is CC(C)c1nc(C(=O)N2CCC(n3nccc3NC(=O)C3CCCC3)CC2)cs1.
What is the InChIKey of N-[2-[1-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide?
The InChIKey is LXBREDFRIHROBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2S/c1-14(2)20-23-17(13-29-20)21(28)25-11-8-16(9-12-25)26-18(7-10-22-26)24-19(27)15-5-3-4-6-15/h7,10,13-16H,3-6,8-9,11-12H2,1-2H3,(H,24,27).
What are the key properties of N-[2-[1-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide?
N-[2-[1-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide has a molecular weight of 415.56 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide is sourced from PubChem (CID 42117268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).