N-[1-[4-[4-(thiophene-2-carbonyl)piperazine-1-carbonyl]phenyl]pyrazol-4-yl]oxolane-3-carboxamide

C24H25N5O4S — CID 45201102

IUPACN-[1-[4-[4-(thiophene-2-carbonyl)piperazine-1-carbonyl]phenyl]pyrazol-4-yl]oxolane-3-carboxamide
SMILESO=C(Nc1cnn(-c2ccc(C(=O)N3CCN(C(=O)c4cccs4)CC3)cc2)c1)C1CCOC1
InChIInChI=1S/C24H25N5O4S/c30-22(18-7-12-33-16-18)26-19-14-25-29(15-19)20-5-3-17(4-6-20)23(31)27-8-10-28(11-9-27)24(32)21-2-1-13-34-21/h1-6,13-15,18H,7-12,16H2,(H,26,30)
InChIKeyNZKNKLWMIKCIGN-UHFFFAOYSA-N
MW479.56 g/mol
LogP2.51
Rot. Bonds5

About N-[1-[4-[4-(thiophene-2-carbonyl)piperazine-1-carbonyl]phenyl]pyrazol-4-yl]oxolane-3-carboxamide

N-[1-[4-[4-(thiophene-2-carbonyl)piperazine-1-carbonyl]phenyl]pyrazol-4-yl]oxolane-3-carboxamide (PubChem CID 45201102) has the molecular formula C24H25N5O4S and a molecular weight of 479.56 g/mol. Its IUPAC name is N-[1-[4-[4-(thiophene-2-carbonyl)piperazine-1-carbonyl]phenyl]pyrazol-4-yl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[1-[4-[4-(thiophene-2-carbonyl)piperazine-1-carbonyl]phenyl]pyrazol-4-yl]oxolane-3-carboxamide
PubChem CID45201102
Molecular FormulaC24H25N5O4S
Molecular Weight479.56 g/mol
Exact Mass479.16
IUPAC NameN-[1-[4-[4-(thiophene-2-carbonyl)piperazine-1-carbonyl]phenyl]pyrazol-4-yl]oxolane-3-carboxamide
SMILESO=C(Nc1cnn(-c2ccc(C(=O)N3CCN(C(=O)c4cccs4)CC3)cc2)c1)C1CCOC1
InChIInChI=1S/C24H25N5O4S/c30-22(18-7-12-33-16-18)26-19-14-25-29(15-19)20-5-3-17(4-6-20)23(31)27-8-10-28(11-9-27)24(32)21-2-1-13-34-21/h1-6,13-15,18H,7-12,16H2,(H,26,30)
InChIKeyNZKNKLWMIKCIGN-UHFFFAOYSA-N
XLogP2.51
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.56
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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N-[1-[4-[(5-phenyl-1,2-oxazol-3-yl)methylcarbamoyl]phenyl]pyrazol-4-yl]oxane-4-carboxamide
CID 42437402
N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]thiophene-2-carboxamide
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CID 90511231
(3R)-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]oxolane-3-carboxamide
CID 97428174
N-phenyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 1075464
N-[1-[4-[4-[hydroxy(thiophen-2-yl)methyl]piperidine-1-carbonyl]phenyl]pyrazol-4-yl]pyridine-3-carboxamide
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[4-(5-methylpyrazol-1-yl)phenyl]-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
CID 9476777
N-[1-(oxan-4-yl)pyrazol-4-yl]thiophene-2-carboxamide
CID 71810204
N-[4-(morpholine-4-carbonyl)phenyl]thiophene-2-carboxamide
CID 653867
N-[3,5-bis(trifluoromethyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[4-(thiophene-2-carbonyl)piperazine-1-carbonyl]phenyl]pyrazol-4-yl]oxolane-3-carboxamide?
The IUPAC name of N-[1-[4-[4-(thiophene-2-carbonyl)piperazine-1-carbonyl]phenyl]pyrazol-4-yl]oxolane-3-carboxamide (CID 45201102) is N-[1-[4-[4-(thiophene-2-carbonyl)piperazine-1-carbonyl]phenyl]pyrazol-4-yl]oxolane-3-carboxamide.
What is the SMILES notation for N-[1-[4-[4-(thiophene-2-carbonyl)piperazine-1-carbonyl]phenyl]pyrazol-4-yl]oxolane-3-carboxamide?
The canonical SMILES for N-[1-[4-[4-(thiophene-2-carbonyl)piperazine-1-carbonyl]phenyl]pyrazol-4-yl]oxolane-3-carboxamide is O=C(Nc1cnn(-c2ccc(C(=O)N3CCN(C(=O)c4cccs4)CC3)cc2)c1)C1CCOC1.
What is the InChIKey of N-[1-[4-[4-(thiophene-2-carbonyl)piperazine-1-carbonyl]phenyl]pyrazol-4-yl]oxolane-3-carboxamide?
The InChIKey is NZKNKLWMIKCIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O4S/c30-22(18-7-12-33-16-18)26-19-14-25-29(15-19)20-5-3-17(4-6-20)23(31)27-8-10-28(11-9-27)24(32)21-2-1-13-34-21/h1-6,13-15,18H,7-12,16H2,(H,26,30).
What are the key properties of N-[1-[4-[4-(thiophene-2-carbonyl)piperazine-1-carbonyl]phenyl]pyrazol-4-yl]oxolane-3-carboxamide?
N-[1-[4-[4-(thiophene-2-carbonyl)piperazine-1-carbonyl]phenyl]pyrazol-4-yl]oxolane-3-carboxamide has a molecular weight of 479.56 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[4-(thiophene-2-carbonyl)piperazine-1-carbonyl]phenyl]pyrazol-4-yl]oxolane-3-carboxamide is sourced from PubChem (CID 45201102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).