4-(methylamino)-N-(4-thiomorpholin-4-ylcyclohexyl)-1H-pyrazole-5-carboxamide

C15H25N5OS — CID 142995121

IUPAC4-(methylamino)-N-(4-thiomorpholin-4-ylcyclohexyl)-1H-pyrazole-5-carboxamide
SMILESCNc1cn[nH]c1C(=O)NC1CCC(N2CCSCC2)CC1
InChIInChI=1S/C15H25N5OS/c1-16-13-10-17-19-14(13)15(21)18-11-2-4-12(5-3-11)20-6-8-22-9-7-20/h10-12,16H,2-9H2,1H3,(H,17,19)(H,18,21)
InChIKeyRXOWZJIGLORPBK-UHFFFAOYSA-N
MW323.47 g/mol
LogP1.54
Rot. Bonds4

About 4-(methylamino)-N-(4-thiomorpholin-4-ylcyclohexyl)-1H-pyrazole-5-carboxamide

4-(methylamino)-N-(4-thiomorpholin-4-ylcyclohexyl)-1H-pyrazole-5-carboxamide (PubChem CID 142995121) has the molecular formula C15H25N5OS and a molecular weight of 323.47 g/mol. Its IUPAC name is 4-(methylamino)-N-(4-thiomorpholin-4-ylcyclohexyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(methylamino)-N-(4-thiomorpholin-4-ylcyclohexyl)-1H-pyrazole-5-carboxamide
PubChem CID142995121
Molecular FormulaC15H25N5OS
Molecular Weight323.47 g/mol
Exact Mass323.18
IUPAC Name4-(methylamino)-N-(4-thiomorpholin-4-ylcyclohexyl)-1H-pyrazole-5-carboxamide
SMILESCNc1cn[nH]c1C(=O)NC1CCC(N2CCSCC2)CC1
InChIInChI=1S/C15H25N5OS/c1-16-13-10-17-19-14(13)15(21)18-11-2-4-12(5-3-11)20-6-8-22-9-7-20/h10-12,16H,2-9H2,1H3,(H,17,19)(H,18,21)
InChIKeyRXOWZJIGLORPBK-UHFFFAOYSA-N
XLogP1.54
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.47
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-amino-4-hydroxycyclohexyl)-4-(methylamino)-1H-pyrazole-5-carboxamide
CID 143609180
N-cyclopropyl-4-methyl-1H-pyrazole-5-carboxamide
CID 110847961
4-[(2,6-dichlorobenzoyl)amino]-N-[1-(2-methylpropanoyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 166167676
N-cyclopropyl-8-(methylamino)-6-[[5-(methylcarbamoyl)-1H-pyrazol-4-yl]amino]imidazo[1,2-b]pyridazine-3-carboxamide
CID 134417211
4-[(2,6-dichlorobenzoyl)amino]-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 166167716
4-[(2,6-difluorobenzoyl)amino]-N-[4-(dimethylamino)cyclohexyl]-1H-pyrazole-5-carboxamide
CID 58696395
N-cyclohexyl-4-[(4-methoxythiophene-3-carbonyl)amino]-1H-pyrazole-5-carboxamide
CID 66978495
4-[(2-chloro-6-methoxybenzoyl)amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide
CID 59862803
bis(4-[(2,6-dichlorobenzoyl)amino]-N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-5-carboxamide);methane
CID 160548828
2-[4-[[4-[(2,6-dichlorobenzoyl)amino]-1H-pyrazole-5-carbonyl]amino]piperidin-1-yl]acetic acid
CID 155229791
ethyl 4-[[4-[(2,6-dichlorobenzoyl)amino]-1H-pyrazole-5-carbonyl]amino]piperidine-1-carboxylate
CID 11719428
4-[(2,6-dichlorobenzoyl)amino]-N-[1-(dimethylsulfamoyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 59862674

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-(4-thiomorpholin-4-ylcyclohexyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-(methylamino)-N-(4-thiomorpholin-4-ylcyclohexyl)-1H-pyrazole-5-carboxamide (CID 142995121) is 4-(methylamino)-N-(4-thiomorpholin-4-ylcyclohexyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-(methylamino)-N-(4-thiomorpholin-4-ylcyclohexyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-(methylamino)-N-(4-thiomorpholin-4-ylcyclohexyl)-1H-pyrazole-5-carboxamide is CNc1cn[nH]c1C(=O)NC1CCC(N2CCSCC2)CC1.
What is the InChIKey of 4-(methylamino)-N-(4-thiomorpholin-4-ylcyclohexyl)-1H-pyrazole-5-carboxamide?
The InChIKey is RXOWZJIGLORPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5OS/c1-16-13-10-17-19-14(13)15(21)18-11-2-4-12(5-3-11)20-6-8-22-9-7-20/h10-12,16H,2-9H2,1H3,(H,17,19)(H,18,21).
What are the key properties of 4-(methylamino)-N-(4-thiomorpholin-4-ylcyclohexyl)-1H-pyrazole-5-carboxamide?
4-(methylamino)-N-(4-thiomorpholin-4-ylcyclohexyl)-1H-pyrazole-5-carboxamide has a molecular weight of 323.47 g/mol, XLogP of 1.54, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-(4-thiomorpholin-4-ylcyclohexyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 142995121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).