2-[(4-phenylazepan-1-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

C19H26N4 — CID 56916737

IUPAC2-[(4-phenylazepan-1-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
SMILESc1ccc(C2CCCN(Cc3cc4n(n3)CCNC4)CC2)cc1
InChIInChI=1S/C19H26N4/c1-2-5-16(6-3-1)17-7-4-10-22(11-8-17)15-18-13-19-14-20-9-12-23(19)21-18/h1-3,5-6,13,17,20H,4,7-12,14-15H2
InChIKeyKGUCVGHVBPIMSR-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.76
Rot. Bonds3

About 2-[(4-phenylazepan-1-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

2-[(4-phenylazepan-1-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine (PubChem CID 56916737) has the molecular formula C19H26N4 and a molecular weight of 310.44 g/mol. Its IUPAC name is 2-[(4-phenylazepan-1-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-[(4-phenylazepan-1-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
PubChem CID56916737
Molecular FormulaC19H26N4
Molecular Weight310.44 g/mol
Exact Mass310.22
IUPAC Name2-[(4-phenylazepan-1-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
SMILESc1ccc(C2CCCN(Cc3cc4n(n3)CCNC4)CC2)cc1
InChIInChI=1S/C19H26N4/c1-2-5-16(6-3-1)17-7-4-10-22(11-8-17)15-18-13-19-14-20-9-12-23(19)21-18/h1-3,5-6,13,17,20H,4,7-12,14-15H2
InChIKeyKGUCVGHVBPIMSR-UHFFFAOYSA-N
XLogP2.76
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclobutyl-3-phenyl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine
CID 11288612
2-ethyl-3-phenyl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine
CID 24873261
3-phenyl-2-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine
CID 24873384
1h-Pyrazolo[4,3-c]pyridine,3-(4-fluorophenyl)-4,5,6,7-tetrahydro-1-(phenylmethyl)-,hydrochloride
CID 45263015
2-Cyclopropyl-3-phenyl-2,4,5,6,7,8-hexahydro-1,2,6-triaza-azulene
CID 59752638
N-methyl-4-(2-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepin-3-yl)aniline
CID 162668650
3-(4-Fluorophenyl)-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 44384532
2-Phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 57127490
2-(3-Fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 71814125
1-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-4-(4-fluorobenzyl)piperidine
CID 28373543
1h-Pyrazolo[4,3-c]pyridine,4,5,6,7-tetrahydro-1-(1-methylethyl)-3-phenyl-
CID 44383991
1-Methyl-3-phenyl-5-piperazin-1-ylindazole
CID 56683650

Frequently Asked Questions

What is the IUPAC name of 2-[(4-phenylazepan-1-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The IUPAC name of 2-[(4-phenylazepan-1-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine (CID 56916737) is 2-[(4-phenylazepan-1-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 2-[(4-phenylazepan-1-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The canonical SMILES for 2-[(4-phenylazepan-1-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine is c1ccc(C2CCCN(Cc3cc4n(n3)CCNC4)CC2)cc1.
What is the InChIKey of 2-[(4-phenylazepan-1-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The InChIKey is KGUCVGHVBPIMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4/c1-2-5-16(6-3-1)17-7-4-10-22(11-8-17)15-18-13-19-14-20-9-12-23(19)21-18/h1-3,5-6,13,17,20H,4,7-12,14-15H2.
What are the key properties of 2-[(4-phenylazepan-1-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
2-[(4-phenylazepan-1-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine has a molecular weight of 310.44 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-phenylazepan-1-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 56916737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).