N-[4-(4-methylpyrazol-1-yl)cyclohexyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

C17H23N5O — CID 175641935

IUPACN-[4-(4-methylpyrazol-1-yl)cyclohexyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESCc1cnn(C2CCC(NC(=O)c3n[nH]c4c3CCC4)CC2)c1
InChIInChI=1S/C17H23N5O/c1-11-9-18-22(10-11)13-7-5-12(6-8-13)19-17(23)16-14-3-2-4-15(14)20-21-16/h9-10,12-13H,2-8H2,1H3,(H,19,23)(H,20,21)
InChIKeyOYVMQTDTESNYRK-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.32
Rot. Bonds3

About N-[4-(4-methylpyrazol-1-yl)cyclohexyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

N-[4-(4-methylpyrazol-1-yl)cyclohexyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (PubChem CID 175641935) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[4-(4-methylpyrazol-1-yl)cyclohexyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methylpyrazol-1-yl)cyclohexyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
PubChem CID175641935
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC NameN-[4-(4-methylpyrazol-1-yl)cyclohexyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESCc1cnn(C2CCC(NC(=O)c3n[nH]c4c3CCC4)CC2)c1
InChIInChI=1S/C17H23N5O/c1-11-9-18-22(10-11)13-7-5-12(6-8-13)19-17(23)16-14-3-2-4-15(14)20-21-16/h9-10,12-13H,2-8H2,1H3,(H,19,23)(H,20,21)
InChIKeyOYVMQTDTESNYRK-UHFFFAOYSA-N
XLogP2.32
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonylamino)cyclohexane-1-carboxylic acid
CID 162632727
N-[(1S,3S)-3-aminocyclopentyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 133111834
N-cyclopropyl-1-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-4-yl]triazole-4-carboxamide
CID 56708665
N-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 167934990
N-[(4S)-1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 42290126
N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 125159232
N-(3,5-dimethylphenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110388886
[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 95603260
1-cyclobutyl-4-methylpyrazole
CID 59225391
N-[2-(cyclopropanecarbonylamino)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 78880342
1-cyclobutyl-4-methylpyrazole;ethane;methanol
CID 162747933
N-(1-cyclobutylpyrazol-4-yl)-5-fluoro-5,6,6-trimethyl-4,7-dihydro-1H-indazole-3-carboxamide
CID 166112907

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpyrazol-1-yl)cyclohexyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-[4-(4-methylpyrazol-1-yl)cyclohexyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (CID 175641935) is N-[4-(4-methylpyrazol-1-yl)cyclohexyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-[4-(4-methylpyrazol-1-yl)cyclohexyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-[4-(4-methylpyrazol-1-yl)cyclohexyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is Cc1cnn(C2CCC(NC(=O)c3n[nH]c4c3CCC4)CC2)c1.
What is the InChIKey of N-[4-(4-methylpyrazol-1-yl)cyclohexyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is OYVMQTDTESNYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-11-9-18-22(10-11)13-7-5-12(6-8-13)19-17(23)16-14-3-2-4-15(14)20-21-16/h9-10,12-13H,2-8H2,1H3,(H,19,23)(H,20,21).
What are the key properties of N-[4-(4-methylpyrazol-1-yl)cyclohexyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
N-[4-(4-methylpyrazol-1-yl)cyclohexyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpyrazol-1-yl)cyclohexyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 175641935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).