N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-morpholin-3-ylacetamide;dihydrochloride

C19H33Cl2N5O2 — CID 154898099

IUPACN-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-morpholin-3-ylacetamide;dihydrochloride
SMILESCl.Cl.O=C(CC1COCCN1)NCc1cc2n(n1)CCN(C1CCCCC1)C2
InChIInChI=1S/C19H31N5O2.2ClH/c25-19(11-16-14-26-9-6-20-16)21-12-15-10-18-13-23(7-8-24(18)22-15)17-4-2-1-3-5-17;;/h10,16-17,20H,1-9,11-14H2,(H,21,25);2*1H
InChIKeyHDQSRNSANBTDSS-UHFFFAOYSA-N
MW434.41 g/mol
LogP1.87
Rot. Bonds5

About N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-morpholin-3-ylacetamide;dihydrochloride

N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-morpholin-3-ylacetamide;dihydrochloride (PubChem CID 154898099) has the molecular formula C19H33Cl2N5O2 and a molecular weight of 434.41 g/mol. Its IUPAC name is N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-morpholin-3-ylacetamide;dihydrochloride.

Molecular Properties

Compound NameN-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-morpholin-3-ylacetamide;dihydrochloride
PubChem CID154898099
Molecular FormulaC19H33Cl2N5O2
Molecular Weight434.41 g/mol
Exact Mass433.20
IUPAC NameN-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-morpholin-3-ylacetamide;dihydrochloride
SMILESCl.Cl.O=C(CC1COCCN1)NCc1cc2n(n1)CCN(C1CCCCC1)C2
InChIInChI=1S/C19H31N5O2.2ClH/c25-19(11-16-14-26-9-6-20-16)21-12-15-10-18-13-23(7-8-24(18)22-15)17-4-2-1-3-5-17;;/h10,16-17,20H,1-9,11-14H2,(H,21,25);2*1H
InChIKeyHDQSRNSANBTDSS-UHFFFAOYSA-N
XLogP1.87
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.41
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(tetrazol-1-yl)acetamide
CID 72908965
3-amino-N-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]propanamide;dihydrochloride
CID 154895873
(2S)-2-amino-N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-3-hydroxypropanamide;dihydrochloride
CID 154896797
N-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 70739202
N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2,5-dimethylfuran-3-carboxamide
CID 72914415
N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2H-benzotriazole-5-carboxamide
CID 72893865
N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-3-pyridin-3-ylpropanamide
CID 70760472
N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 72878238
N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-4,6-dimethylpyridine-3-carboxamide
CID 70725047
N-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-2-phenoxyacetamide
CID 72861549
3-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]propanamide
CID 133123817
2-morpholin-3-yl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)acetamide
CID 56894102

Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-morpholin-3-ylacetamide;dihydrochloride?
The IUPAC name of N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-morpholin-3-ylacetamide;dihydrochloride (CID 154898099) is N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-morpholin-3-ylacetamide;dihydrochloride.
What is the SMILES notation for N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-morpholin-3-ylacetamide;dihydrochloride?
The canonical SMILES for N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-morpholin-3-ylacetamide;dihydrochloride is Cl.Cl.O=C(CC1COCCN1)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]-2-morpholin-3-ylacetamide;dihydrochloride?
The InChIKey is HDQSRNSANBTDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O2.2ClH/c25-19(11-16-14-26-9-6-20-16)21-12-15-10-18-13-23(7-8-24(18)22-15)17-4-2-1-3-5-17;;/h10,16-17,20H,1-9,11-14H2,(H,21,25);2*1H.
What are the key properties of N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-morpholin-3-ylacetamide;dihydrochloride?
N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-morpholin-3-ylacetamide;dihydrochloride has a molecular weight of 434.41 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 6 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]-2-morpholin-3-ylacetamide;dihydrochloride is sourced from PubChem (CID 154898099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).