N-[cyclohexyl(thiophen-2-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

C18H24N4OS — CID 50971670

IUPACN-[cyclohexyl(thiophen-2-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESO=C(NC(c1cccs1)C1CCCCC1)c1cc2n(n1)CCNC2
InChIInChI=1S/C18H24N4OS/c23-18(15-11-14-12-19-8-9-22(14)21-15)20-17(16-7-4-10-24-16)13-5-2-1-3-6-13/h4,7,10-11,13,17,19H,1-3,5-6,8-9,12H2,(H,20,23)
InChIKeyIKNLCXQQWONTBJ-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.10
Rot. Bonds4

About N-[cyclohexyl(thiophen-2-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

N-[cyclohexyl(thiophen-2-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 50971670) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is N-[cyclohexyl(thiophen-2-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[cyclohexyl(thiophen-2-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID50971670
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC NameN-[cyclohexyl(thiophen-2-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESO=C(NC(c1cccs1)C1CCCCC1)c1cc2n(n1)CCNC2
InChIInChI=1S/C18H24N4OS/c23-18(15-11-14-12-19-8-9-22(14)21-15)20-17(16-7-4-10-24-16)13-5-2-1-3-6-13/h4,7,10-11,13,17,19H,1-3,5-6,8-9,12H2,(H,20,23)
InChIKeyIKNLCXQQWONTBJ-UHFFFAOYSA-N
XLogP3.10
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[cyclohexyl(thiophen-2-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide with MolForge

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Related Compounds

N-[cyclopentyl(thiophen-2-yl)methyl]piperidine-4-carboxamide
CID 43697912
N-[(S)-cyclopentyl(thiophen-2-yl)methyl]-6-methylpyridine-3-carboxamide
CID 39029656
N-[(R)-cyclopentyl(thiophen-2-yl)methyl]thiophene-2-carboxamide
CID 39032304
N-[(R)-cyclopentyl(thiophen-2-yl)methyl]-1-methylpyrazole-4-carboxamide
CID 39612382
N-[cyclopentyl(thiophen-2-yl)methyl]-3-iodobenzamide
CID 63524576
N-[(R)-cyclopentyl(thiophen-2-yl)methyl]-3-methyl-4-(2-oxoimidazolidin-1-yl)benzamide
CID 94493854
N-[(S)-cyclopentyl(thiophen-2-yl)methyl]-6-(dimethylamino)pyridine-3-carboxamide
CID 39613359
1-[(R)-cyclopentyl(thiophen-2-yl)methyl]-3-methylurea
CID 94152755
2,5-dichloro-N-[cyclopentyl(thiophen-2-yl)methyl]thiophene-3-carboxamide
CID 55689684
N-[(R)-cyclopentyl(thiophen-2-yl)methyl]furan-2-carboxamide
CID 39032515
4-(carbamoylamino)-N-[(S)-cyclopentyl(thiophen-2-yl)methyl]benzamide
CID 51943755
4,5-dibromo-N-[cyclopentyl(thiophen-2-yl)methyl]thiophene-2-carboxamide
CID 80534165

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexyl(thiophen-2-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of N-[cyclohexyl(thiophen-2-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide (CID 50971670) is N-[cyclohexyl(thiophen-2-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-[cyclohexyl(thiophen-2-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for N-[cyclohexyl(thiophen-2-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide is O=C(NC(c1cccs1)C1CCCCC1)c1cc2n(n1)CCNC2.
What is the InChIKey of N-[cyclohexyl(thiophen-2-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is IKNLCXQQWONTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c23-18(15-11-14-12-19-8-9-22(14)21-15)20-17(16-7-4-10-24-16)13-5-2-1-3-6-13/h4,7,10-11,13,17,19H,1-3,5-6,8-9,12H2,(H,20,23).
What are the key properties of N-[cyclohexyl(thiophen-2-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide?
N-[cyclohexyl(thiophen-2-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 344.48 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexyl(thiophen-2-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 50971670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).