N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-3-(4-hydroxyphenyl)propanamide

C22H30N4O2 — CID 72844797

IUPACN-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-3-(4-hydroxyphenyl)propanamide
SMILESO=C(CCc1ccc(O)cc1)NCc1cc2n(n1)CCN(C1CCCCC1)C2
InChIInChI=1S/C22H30N4O2/c27-21-9-6-17(7-10-21)8-11-22(28)23-15-18-14-20-16-25(12-13-26(20)24-18)19-4-2-1-3-5-19/h6-7,9-10,14,19,27H,1-5,8,11-13,15-16H2,(H,23,28)
InChIKeyNBPJRVKVUJXQRM-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.99
Rot. Bonds6

About N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-3-(4-hydroxyphenyl)propanamide

N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-3-(4-hydroxyphenyl)propanamide (PubChem CID 72844797) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-3-(4-hydroxyphenyl)propanamide.

Molecular Properties

Compound NameN-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-3-(4-hydroxyphenyl)propanamide
PubChem CID72844797
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC NameN-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-3-(4-hydroxyphenyl)propanamide
SMILESO=C(CCc1ccc(O)cc1)NCc1cc2n(n1)CCN(C1CCCCC1)C2
InChIInChI=1S/C22H30N4O2/c27-21-9-6-17(7-10-21)8-11-22(28)23-15-18-14-20-16-25(12-13-26(20)24-18)19-4-2-1-3-5-19/h6-7,9-10,14,19,27H,1-5,8,11-13,15-16H2,(H,23,28)
InChIKeyNBPJRVKVUJXQRM-UHFFFAOYSA-N
XLogP2.99
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

n((1-(2-(4-Hydroxyphenyl)ethyl)-4-piperidinyl)methyl)-1-isopropyl-1h-indazole-3-carboxamide hydrochloride
CID 17984293
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CID 146641788
[5-[2-(4-Hydroxyphenyl)ethylamino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
CID 146641795
N-benzyl-5-[(3-hydroxyphenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 45160320
2-(1-ethyl-4-(4-methoxyphenethyl)-3-methyl-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)-N-methyl-2-phenylacetamide
CID 46880346
6-hydroxy-1-methyl-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide
CID 135976299
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CID 155554849
3-[(4-{[2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-methylethyl]amino}piperidin-1-yl)methyl]phenol
CID 56706592
2-(3-hydroxyphenyl)-N-[(5-isobutyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]acetamide
CID 70772509
N~1~-Benzyl-3-[5-(3-fluoro-4-hydroxybenzyl)-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-A]pyrazin-3-YL]propanamide
CID 91909759
N-(1-benzylpiperidin-4-yl)-5-(4-hydroxyphenyl)-1-phenylpyrazole-3-carboxamide
CID 137656145
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CID 72889341

Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-3-(4-hydroxyphenyl)propanamide?
The IUPAC name of N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-3-(4-hydroxyphenyl)propanamide (CID 72844797) is N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-3-(4-hydroxyphenyl)propanamide.
What is the SMILES notation for N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-3-(4-hydroxyphenyl)propanamide?
The canonical SMILES for N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-3-(4-hydroxyphenyl)propanamide is O=C(CCc1ccc(O)cc1)NCc1cc2n(n1)CCN(C1CCCCC1)C2.
What is the InChIKey of N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-3-(4-hydroxyphenyl)propanamide?
The InChIKey is NBPJRVKVUJXQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c27-21-9-6-17(7-10-21)8-11-22(28)23-15-18-14-20-16-25(12-13-26(20)24-18)19-4-2-1-3-5-19/h6-7,9-10,14,19,27H,1-5,8,11-13,15-16H2,(H,23,28).
What are the key properties of N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-3-(4-hydroxyphenyl)propanamide?
N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-3-(4-hydroxyphenyl)propanamide has a molecular weight of 382.51 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-3-(4-hydroxyphenyl)propanamide is sourced from PubChem (CID 72844797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).