5-methyl-N-[4-(4-pyrimidin-4-ylpyrazol-1-yl)cyclohexyl]thiophene-2-carboxamide

C19H21N5OS — CID 175644648

IUPAC5-methyl-N-[4-(4-pyrimidin-4-ylpyrazol-1-yl)cyclohexyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NC2CCC(n3cc(-c4ccncn4)cn3)CC2)s1
InChIInChI=1S/C19H21N5OS/c1-13-2-7-18(26-13)19(25)23-15-3-5-16(6-4-15)24-11-14(10-22-24)17-8-9-20-12-21-17/h2,7-12,15-16H,3-6H2,1H3,(H,23,25)
InChIKeyNRKCBIHKDSRMSL-UHFFFAOYSA-N
MW367.48 g/mol
LogP3.62
Rot. Bonds4

About 5-methyl-N-[4-(4-pyrimidin-4-ylpyrazol-1-yl)cyclohexyl]thiophene-2-carboxamide

5-methyl-N-[4-(4-pyrimidin-4-ylpyrazol-1-yl)cyclohexyl]thiophene-2-carboxamide (PubChem CID 175644648) has the molecular formula C19H21N5OS and a molecular weight of 367.48 g/mol. Its IUPAC name is 5-methyl-N-[4-(4-pyrimidin-4-ylpyrazol-1-yl)cyclohexyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[4-(4-pyrimidin-4-ylpyrazol-1-yl)cyclohexyl]thiophene-2-carboxamide
PubChem CID175644648
Molecular FormulaC19H21N5OS
Molecular Weight367.48 g/mol
Exact Mass367.15
IUPAC Name5-methyl-N-[4-(4-pyrimidin-4-ylpyrazol-1-yl)cyclohexyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NC2CCC(n3cc(-c4ccncn4)cn3)CC2)s1
InChIInChI=1S/C19H21N5OS/c1-13-2-7-18(26-13)19(25)23-15-3-5-16(6-4-15)24-11-14(10-22-24)17-8-9-20-12-21-17/h2,7-12,15-16H,3-6H2,1H3,(H,23,25)
InChIKeyNRKCBIHKDSRMSL-UHFFFAOYSA-N
XLogP3.62
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[[4-(4-pyrimidin-4-ylpyrazol-1-yl)cyclohexyl]carbamoyl]benzoate
CID 176506804
2-(4-chlorophenyl)-N-[4-(4-pyrimidin-4-ylpyrazol-1-yl)cyclohexyl]acetamide
CID 175642742
1-(2-fluorophenyl)-3-[4-(4-pyrimidin-4-ylpyrazol-1-yl)cyclohexyl]urea
CID 175645470
2-(2-chloro-4-fluorophenyl)-N-[4-(4-pyrimidin-4-ylpyrazol-1-yl)cyclohexyl]acetamide
CID 175645939
3-methyl-N-[4-(4-pyrazin-2-ylpyrazol-1-yl)cyclohexyl]furan-2-carboxamide
CID 176502237
2-(dimethylamino)-N-[4-(4-pyrazin-2-ylpyrazol-1-yl)cyclohexyl]acetamide
CID 175644408
N-[4-(4-pyrazin-2-ylpyrazol-1-yl)cyclohexyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 176507080
5-[4-[(5-methylthiophene-2-carbonyl)amino]piperidine-1-carbonyl]pyrazine-2-carboxylic acid
CID 120685360
5-methyl-N-[1-(6-methylpyrazin-2-yl)piperidin-4-yl]thiophene-2-carboxamide
CID 133469263
5-methyl-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]thiophene-2-carboxamide
CID 133278481
4-(1-methylpyrazol-4-yl)pyrimidine
CID 3477787
N-[1-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide
CID 49448249

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-(4-pyrimidin-4-ylpyrazol-1-yl)cyclohexyl]thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-[4-(4-pyrimidin-4-ylpyrazol-1-yl)cyclohexyl]thiophene-2-carboxamide (CID 175644648) is 5-methyl-N-[4-(4-pyrimidin-4-ylpyrazol-1-yl)cyclohexyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[4-(4-pyrimidin-4-ylpyrazol-1-yl)cyclohexyl]thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-[4-(4-pyrimidin-4-ylpyrazol-1-yl)cyclohexyl]thiophene-2-carboxamide is Cc1ccc(C(=O)NC2CCC(n3cc(-c4ccncn4)cn3)CC2)s1.
What is the InChIKey of 5-methyl-N-[4-(4-pyrimidin-4-ylpyrazol-1-yl)cyclohexyl]thiophene-2-carboxamide?
The InChIKey is NRKCBIHKDSRMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5OS/c1-13-2-7-18(26-13)19(25)23-15-3-5-16(6-4-15)24-11-14(10-22-24)17-8-9-20-12-21-17/h2,7-12,15-16H,3-6H2,1H3,(H,23,25).
What are the key properties of 5-methyl-N-[4-(4-pyrimidin-4-ylpyrazol-1-yl)cyclohexyl]thiophene-2-carboxamide?
5-methyl-N-[4-(4-pyrimidin-4-ylpyrazol-1-yl)cyclohexyl]thiophene-2-carboxamide has a molecular weight of 367.48 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-(4-pyrimidin-4-ylpyrazol-1-yl)cyclohexyl]thiophene-2-carboxamide is sourced from PubChem (CID 175644648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).