N-cyclohexyl-4-[(4-methoxythiophene-3-carbonyl)amino]-1H-pyrazole-5-carboxamide

C16H20N4O3S — CID 66978495

IUPACN-cyclohexyl-4-[(4-methoxythiophene-3-carbonyl)amino]-1H-pyrazole-5-carboxamide
SMILESCOc1cscc1C(=O)Nc1cn[nH]c1C(=O)NC1CCCCC1
InChIInChI=1S/C16H20N4O3S/c1-23-13-9-24-8-11(13)15(21)19-12-7-17-20-14(12)16(22)18-10-5-3-2-4-6-10/h7-10H,2-6H2,1H3,(H,17,20)(H,18,22)(H,19,21)
InChIKeyDJEBJSPPWYCJLL-UHFFFAOYSA-N
MW348.43 g/mol
LogP2.79
Rot. Bonds5

About N-cyclohexyl-4-[(4-methoxythiophene-3-carbonyl)amino]-1H-pyrazole-5-carboxamide

N-cyclohexyl-4-[(4-methoxythiophene-3-carbonyl)amino]-1H-pyrazole-5-carboxamide (PubChem CID 66978495) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is N-cyclohexyl-4-[(4-methoxythiophene-3-carbonyl)amino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[(4-methoxythiophene-3-carbonyl)amino]-1H-pyrazole-5-carboxamide
PubChem CID66978495
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC NameN-cyclohexyl-4-[(4-methoxythiophene-3-carbonyl)amino]-1H-pyrazole-5-carboxamide
SMILESCOc1cscc1C(=O)Nc1cn[nH]c1C(=O)NC1CCCCC1
InChIInChI=1S/C16H20N4O3S/c1-23-13-9-24-8-11(13)15(21)19-12-7-17-20-14(12)16(22)18-10-5-3-2-4-6-10/h7-10H,2-6H2,1H3,(H,17,20)(H,18,22)(H,19,21)
InChIKeyDJEBJSPPWYCJLL-UHFFFAOYSA-N
XLogP2.79
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[(4-methoxythiophene-3-carbonyl)amino]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-cyclohexyl-4-[(4-methoxythiophene-3-carbonyl)amino]-1H-pyrazole-5-carboxamide (CID 66978495) is N-cyclohexyl-4-[(4-methoxythiophene-3-carbonyl)amino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-[(4-methoxythiophene-3-carbonyl)amino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-cyclohexyl-4-[(4-methoxythiophene-3-carbonyl)amino]-1H-pyrazole-5-carboxamide is COc1cscc1C(=O)Nc1cn[nH]c1C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-4-[(4-methoxythiophene-3-carbonyl)amino]-1H-pyrazole-5-carboxamide?
The InChIKey is DJEBJSPPWYCJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-23-13-9-24-8-11(13)15(21)19-12-7-17-20-14(12)16(22)18-10-5-3-2-4-6-10/h7-10H,2-6H2,1H3,(H,17,20)(H,18,22)(H,19,21).
What are the key properties of N-cyclohexyl-4-[(4-methoxythiophene-3-carbonyl)amino]-1H-pyrazole-5-carboxamide?
N-cyclohexyl-4-[(4-methoxythiophene-3-carbonyl)amino]-1H-pyrazole-5-carboxamide has a molecular weight of 348.43 g/mol, XLogP of 2.79, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[(4-methoxythiophene-3-carbonyl)amino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 66978495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).