1-N,1-N,4-trimethyl-2-N-[(1-phenylpyrazol-4-yl)methyl]pentane-1,2-diamine

C18H28N4 — CID 119122223

IUPAC1-N,1-N,4-trimethyl-2-N-[(1-phenylpyrazol-4-yl)methyl]pentane-1,2-diamine
SMILESCC(C)CC(CN(C)C)NCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C18H28N4/c1-15(2)10-17(14-21(3)4)19-11-16-12-20-22(13-16)18-8-6-5-7-9-18/h5-9,12-13,15,17,19H,10-11,14H2,1-4H3
InChIKeyUNQLXSJVUHGYSM-UHFFFAOYSA-N
MW300.45 g/mol
LogP2.94
Rot. Bonds8

About 1-N,1-N,4-trimethyl-2-N-[(1-phenylpyrazol-4-yl)methyl]pentane-1,2-diamine

1-N,1-N,4-trimethyl-2-N-[(1-phenylpyrazol-4-yl)methyl]pentane-1,2-diamine (PubChem CID 119122223) has the molecular formula C18H28N4 and a molecular weight of 300.45 g/mol. Its IUPAC name is 1-N,1-N,4-trimethyl-2-N-[(1-phenylpyrazol-4-yl)methyl]pentane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N,4-trimethyl-2-N-[(1-phenylpyrazol-4-yl)methyl]pentane-1,2-diamine
PubChem CID119122223
Molecular FormulaC18H28N4
Molecular Weight300.45 g/mol
Exact Mass300.23
IUPAC Name1-N,1-N,4-trimethyl-2-N-[(1-phenylpyrazol-4-yl)methyl]pentane-1,2-diamine
SMILESCC(C)CC(CN(C)C)NCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C18H28N4/c1-15(2)10-17(14-21(3)4)19-11-16-12-20-22(13-16)18-8-6-5-7-9-18/h5-9,12-13,15,17,19H,10-11,14H2,1-4H3
InChIKeyUNQLXSJVUHGYSM-UHFFFAOYSA-N
XLogP2.94
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N',N'-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 16773449
2-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]-4-methylpentan-1-ol
CID 110931861
1-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3-[1-(dimethylamino)-4-methylpentan-2-yl]urea
CID 86970383
4-methyl-1-[(1-phenylpyrazol-4-yl)methylamino]pentan-2-ol
CID 103631647
(2S)-3-methyl-2-[(1-phenylpyrazol-4-yl)methylamino]butanoic acid
CID 120510466
N-[(1-phenylpyrazol-4-yl)methyl]hexan-2-amine
CID 62196925
(1S)-1-cyclopentyl-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine
CID 81385943
4-methylsulfanyl-N-[(1-phenylpyrazol-4-yl)methyl]butan-2-amine
CID 115640103
2-[(1-phenylpyrazol-4-yl)methylamino]-N-propylpropanamide
CID 43225383
(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propan-1-amine
CID 31560309
(2R,3R)-N-[(1-phenylpyrazol-4-yl)methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95276955
(2R)-N-[(1-phenylpyrazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 51683973

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,4-trimethyl-2-N-[(1-phenylpyrazol-4-yl)methyl]pentane-1,2-diamine?
The IUPAC name of 1-N,1-N,4-trimethyl-2-N-[(1-phenylpyrazol-4-yl)methyl]pentane-1,2-diamine (CID 119122223) is 1-N,1-N,4-trimethyl-2-N-[(1-phenylpyrazol-4-yl)methyl]pentane-1,2-diamine.
What is the SMILES notation for 1-N,1-N,4-trimethyl-2-N-[(1-phenylpyrazol-4-yl)methyl]pentane-1,2-diamine?
The canonical SMILES for 1-N,1-N,4-trimethyl-2-N-[(1-phenylpyrazol-4-yl)methyl]pentane-1,2-diamine is CC(C)CC(CN(C)C)NCc1cnn(-c2ccccc2)c1.
What is the InChIKey of 1-N,1-N,4-trimethyl-2-N-[(1-phenylpyrazol-4-yl)methyl]pentane-1,2-diamine?
The InChIKey is UNQLXSJVUHGYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4/c1-15(2)10-17(14-21(3)4)19-11-16-12-20-22(13-16)18-8-6-5-7-9-18/h5-9,12-13,15,17,19H,10-11,14H2,1-4H3.
What are the key properties of 1-N,1-N,4-trimethyl-2-N-[(1-phenylpyrazol-4-yl)methyl]pentane-1,2-diamine?
1-N,1-N,4-trimethyl-2-N-[(1-phenylpyrazol-4-yl)methyl]pentane-1,2-diamine has a molecular weight of 300.45 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,4-trimethyl-2-N-[(1-phenylpyrazol-4-yl)methyl]pentane-1,2-diamine is sourced from PubChem (CID 119122223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).