N-[[1-[(2-methylphenyl)methyl]-5-propylpyrazol-4-yl]methyl]propan-2-amine

C18H27N3 — CID 66441388

IUPACN-[[1-[(2-methylphenyl)methyl]-5-propylpyrazol-4-yl]methyl]propan-2-amine
SMILESCCCc1c(CNC(C)C)cnn1Cc1ccccc1C
InChIInChI=1S/C18H27N3/c1-5-8-18-17(11-19-14(2)3)12-20-21(18)13-16-10-7-6-9-15(16)4/h6-7,9-10,12,14,19H,5,8,11,13H2,1-4H3
InChIKeyFMLZNVNVBDDLIW-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.69
Rot. Bonds7

About N-[[1-[(2-methylphenyl)methyl]-5-propylpyrazol-4-yl]methyl]propan-2-amine

N-[[1-[(2-methylphenyl)methyl]-5-propylpyrazol-4-yl]methyl]propan-2-amine (PubChem CID 66441388) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is N-[[1-[(2-methylphenyl)methyl]-5-propylpyrazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[(2-methylphenyl)methyl]-5-propylpyrazol-4-yl]methyl]propan-2-amine
PubChem CID66441388
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC NameN-[[1-[(2-methylphenyl)methyl]-5-propylpyrazol-4-yl]methyl]propan-2-amine
SMILESCCCc1c(CNC(C)C)cnn1Cc1ccccc1C
InChIInChI=1S/C18H27N3/c1-5-8-18-17(11-19-14(2)3)12-20-21(18)13-16-10-7-6-9-15(16)4/h6-7,9-10,12,14,19H,5,8,11,13H2,1-4H3
InChIKeyFMLZNVNVBDDLIW-UHFFFAOYSA-N
XLogP3.69
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2-methylphenyl)-5-propylpyrazol-4-yl]methyl]propan-2-amine
CID 66441080
N-[1-[5-methyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]ethyl]propan-1-amine
CID 63272233
N-[(1-butan-2-yl-5-propylpyrazol-4-yl)methyl]propan-2-amine
CID 66440544
N-[[1-(2-methoxyphenyl)-5-propylpyrazol-4-yl]methyl]propan-2-amine
CID 66440776
N-[(1-cycloheptyl-5-propylpyrazol-4-yl)methyl]propan-2-amine
CID 66440336
[5-amino-1-[(2-methylphenyl)methyl]pyrazol-4-yl]methanol
CID 115069601
N-[[2-[(2-methylphenyl)methyl]-1H-imidazol-5-yl]methyl]propan-2-amine
CID 55177477
[5-methyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]methanol
CID 66437469
N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]propan-2-amine
CID 66401206
N-[[1-[(2-methylphenyl)methyl]triazol-4-yl]methyl]propan-2-amine
CID 66192029
N-[(2-methylphenyl)methyl]-1-(2-methylpyrazol-3-yl)ethanamine
CID 106757542
1-[(2-methylphenyl)methyl]-5,6,7,8-tetrahydrocyclohepta[d]pyrazol-4-one
CID 107384235

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-methylphenyl)methyl]-5-propylpyrazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[(2-methylphenyl)methyl]-5-propylpyrazol-4-yl]methyl]propan-2-amine (CID 66441388) is N-[[1-[(2-methylphenyl)methyl]-5-propylpyrazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[(2-methylphenyl)methyl]-5-propylpyrazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[(2-methylphenyl)methyl]-5-propylpyrazol-4-yl]methyl]propan-2-amine is CCCc1c(CNC(C)C)cnn1Cc1ccccc1C.
What is the InChIKey of N-[[1-[(2-methylphenyl)methyl]-5-propylpyrazol-4-yl]methyl]propan-2-amine?
The InChIKey is FMLZNVNVBDDLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-5-8-18-17(11-19-14(2)3)12-20-21(18)13-16-10-7-6-9-15(16)4/h6-7,9-10,12,14,19H,5,8,11,13H2,1-4H3.
What are the key properties of N-[[1-[(2-methylphenyl)methyl]-5-propylpyrazol-4-yl]methyl]propan-2-amine?
N-[[1-[(2-methylphenyl)methyl]-5-propylpyrazol-4-yl]methyl]propan-2-amine has a molecular weight of 285.44 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-methylphenyl)methyl]-5-propylpyrazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 66441388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).