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

C20H25N7O — CID 72893865

IUPACN-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2H-benzotriazole-5-carboxamide
SMILESO=C(NCc1cc2n(n1)CCN(C1CCCCC1)C2)c1ccc2n[nH]nc2c1
InChIInChI=1S/C20H25N7O/c28-20(14-6-7-18-19(10-14)23-25-22-18)21-12-15-11-17-13-26(8-9-27(17)24-15)16-4-2-1-3-5-16/h6-7,10-11,16H,1-5,8-9,12-13H2,(H,21,28)(H,22,23,25)
InChIKeyAOELJISHGHRCSE-UHFFFAOYSA-N
MW379.47 g/mol
LogP2.23
Rot. Bonds4

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

N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2H-benzotriazole-5-carboxamide (PubChem CID 72893865) has the molecular formula C20H25N7O and a molecular weight of 379.47 g/mol. Its IUPAC name is N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2H-benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2H-benzotriazole-5-carboxamide
PubChem CID72893865
Molecular FormulaC20H25N7O
Molecular Weight379.47 g/mol
Exact Mass379.21
IUPAC NameN-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2H-benzotriazole-5-carboxamide
SMILESO=C(NCc1cc2n(n1)CCN(C1CCCCC1)C2)c1ccc2n[nH]nc2c1
InChIInChI=1S/C20H25N7O/c28-20(14-6-7-18-19(10-14)23-25-22-18)21-12-15-11-17-13-26(8-9-27(17)24-15)16-4-2-1-3-5-16/h6-7,10-11,16H,1-5,8-9,12-13H2,(H,21,28)(H,22,23,25)
InChIKeyAOELJISHGHRCSE-UHFFFAOYSA-N
XLogP2.23
TPSA91.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.47
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]benzamide
CID 70785676
N-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-4-methylbenzamide
CID 70742620
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-(methylamino)pyridine-4-carboxamide
CID 72881408
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]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 72878238
(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-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(tetrazol-1-yl)acetamide
CID 72908965
N-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-3-hydroxypyridine-2-carboxamide
CID 86283274
N-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-2-phenoxyacetamide
CID 72861549
N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-3-pyridin-3-ylpropanamide
CID 70760472
3-amino-N-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]propanamide;dihydrochloride
CID 154895873

Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2H-benzotriazole-5-carboxamide?
The IUPAC name of N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2H-benzotriazole-5-carboxamide (CID 72893865) is N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2H-benzotriazole-5-carboxamide.
What is the SMILES notation for N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2H-benzotriazole-5-carboxamide?
The canonical SMILES for N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2H-benzotriazole-5-carboxamide is O=C(NCc1cc2n(n1)CCN(C1CCCCC1)C2)c1ccc2n[nH]nc2c1.
What is the InChIKey of N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2H-benzotriazole-5-carboxamide?
The InChIKey is AOELJISHGHRCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O/c28-20(14-6-7-18-19(10-14)23-25-22-18)21-12-15-11-17-13-26(8-9-27(17)24-15)16-4-2-1-3-5-16/h6-7,10-11,16H,1-5,8-9,12-13H2,(H,21,28)(H,22,23,25).
What are the key properties of N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2H-benzotriazole-5-carboxamide?
N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2H-benzotriazole-5-carboxamide has a molecular weight of 379.47 g/mol, XLogP of 2.23, 4 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]-2H-benzotriazole-5-carboxamide is sourced from PubChem (CID 72893865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).