[3,5-diethyl-1-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]methanamine

C18H27N3 — CID 82699760

IUPAC[3,5-diethyl-1-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]methanamine
SMILESCCc1nn(Cc2ccc(C(C)C)cc2)c(CC)c1CN
InChIInChI=1S/C18H27N3/c1-5-17-16(11-19)18(6-2)21(20-17)12-14-7-9-15(10-8-14)13(3)4/h7-10,13H,5-6,11-12,19H2,1-4H3
InChIKeyBRMORBAMKRWRPF-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.64
Rot. Bonds6

About [3,5-diethyl-1-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]methanamine

[3,5-diethyl-1-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]methanamine (PubChem CID 82699760) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is [3,5-diethyl-1-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[3,5-diethyl-1-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]methanamine
PubChem CID82699760
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name[3,5-diethyl-1-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]methanamine
SMILESCCc1nn(Cc2ccc(C(C)C)cc2)c(CC)c1CN
InChIInChI=1S/C18H27N3/c1-5-17-16(11-19)18(6-2)21(20-17)12-14-7-9-15(10-8-14)13(3)4/h7-10,13H,5-6,11-12,19H2,1-4H3
InChIKeyBRMORBAMKRWRPF-UHFFFAOYSA-N
XLogP3.64
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(4-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]propan-2-amine
CID 82700096
2-[3,5-diethyl-1-[(4-ethylphenyl)methyl]pyrazol-4-yl]ethanamine
CID 82699197
[1-[(3,5-dimethylphenyl)methyl]-3,5-diethylpyrazol-4-yl]methanamine
CID 82697601
4-(chloromethyl)-3,5-diethyl-1-[(4-ethylphenyl)methyl]pyrazole
CID 82699922
[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanamine
CID 82697868
[3,5-diethyl-1-[(4-ethylphenyl)methyl]pyrazol-4-yl]methanol
CID 82697742
1-[3,5-diethyl-1-[(4-ethylphenyl)methyl]pyrazol-4-yl]ethanol
CID 82698546
3,5-diethyl-1-[(4-ethylphenyl)methyl]-4-iodopyrazole
CID 82702248
[3,5-diethyl-1-(4-methylpentyl)pyrazol-4-yl]methanamine
CID 83168953
1-[1-[(3,4-dichlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanol
CID 82698540
2-[1-[(4-bromophenyl)methyl]-3,5-diethylpyrazol-4-yl]acetic acid
CID 79219433
2-[1-[(3,4-difluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanamine
CID 82926189

Frequently Asked Questions

What is the IUPAC name of [3,5-diethyl-1-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]methanamine?
The IUPAC name of [3,5-diethyl-1-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]methanamine (CID 82699760) is [3,5-diethyl-1-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]methanamine.
What is the SMILES notation for [3,5-diethyl-1-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]methanamine?
The canonical SMILES for [3,5-diethyl-1-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]methanamine is CCc1nn(Cc2ccc(C(C)C)cc2)c(CC)c1CN.
What is the InChIKey of [3,5-diethyl-1-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]methanamine?
The InChIKey is BRMORBAMKRWRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-5-17-16(11-19)18(6-2)21(20-17)12-14-7-9-15(10-8-14)13(3)4/h7-10,13H,5-6,11-12,19H2,1-4H3.
What are the key properties of [3,5-diethyl-1-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]methanamine?
[3,5-diethyl-1-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]methanamine has a molecular weight of 285.44 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-diethyl-1-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]methanamine is sourced from PubChem (CID 82699760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).