2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane

C19H26N4 — CID 120908289

IUPAC2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane
SMILESCc1nn(-c2ccccc2)c(C)c1CN1CCC2(CCNC2)C1
InChIInChI=1S/C19H26N4/c1-15-18(12-22-11-9-19(14-22)8-10-20-13-19)16(2)23(21-15)17-6-4-3-5-7-17/h3-7,20H,8-14H2,1-2H3
InChIKeyRZXKQBXLNFJLLQ-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.67
Rot. Bonds3

About 2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane

2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane (PubChem CID 120908289) has the molecular formula C19H26N4 and a molecular weight of 310.44 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane
PubChem CID120908289
Molecular FormulaC19H26N4
Molecular Weight310.44 g/mol
Exact Mass310.22
IUPAC Name2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane
SMILESCc1nn(-c2ccccc2)c(C)c1CN1CCC2(CCNC2)C1
InChIInChI=1S/C19H26N4/c1-15-18(12-22-11-9-19(14-22)8-10-20-13-19)16(2)23(21-15)17-6-4-3-5-7-17/h3-7,20H,8-14H2,1-2H3
InChIKeyRZXKQBXLNFJLLQ-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methanamine
CID 818484
[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methyl](methyl)amine
CID 4961800
N-((3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methyl)cyclopentanamine
CID 43406622
4-[[[(1S,4S)-4-[3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]cyclopent-2-en-1-yl]amino]methyl]-N,N-dimethylaniline
CID 40777668
(1S,4S)-N-benzyl-4-[3,5-dimethyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]cyclopent-2-en-1-amine
CID 40780373
(1S,4S)-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(4-fluorophenyl)methyl]cyclopent-2-en-1-amine
CID 40780440
Bis((3-methyl-1-phenyl-1H-pyrazol-5-yl)methyl)amine
CID 78427163
6-(2,7-Diazaspiro[4.4]nonan-2-yl)-3-ethyl-1-phenylindazole
CID 58483612
4-(3,5-dimethyl-1H-pyrazol-1-yl)benzylamine
CID 16640534
2-(4-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl)ethan-1-amine
CID 16769902
[2-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]methanamine
CID 19616721
1-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methyl]piperazine
CID 17024750

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane?
The IUPAC name of 2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane (CID 120908289) is 2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane.
What is the SMILES notation for 2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane?
The canonical SMILES for 2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane is Cc1nn(-c2ccccc2)c(C)c1CN1CCC2(CCNC2)C1.
What is the InChIKey of 2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane?
The InChIKey is RZXKQBXLNFJLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4/c1-15-18(12-22-11-9-19(14-22)8-10-20-13-19)16(2)23(21-15)17-6-4-3-5-7-17/h3-7,20H,8-14H2,1-2H3.
What are the key properties of 2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane?
2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane has a molecular weight of 310.44 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane is sourced from PubChem (CID 120908289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).