N-[[1-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]methyl]-2-methylpropan-2-amine

C15H19Cl2N3 — CID 107310253

IUPACN-[[1-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccn(Cc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C15H19Cl2N3/c1-15(2,3)18-9-12-7-8-20(19-12)10-11-5-4-6-13(16)14(11)17/h4-8,18H,9-10H2,1-3H3
InChIKeyOUXGSQYKLNBEEF-UHFFFAOYSA-N
MW312.24 g/mol
LogP4.13
Rot. Bonds4

About N-[[1-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]methyl]-2-methylpropan-2-amine

N-[[1-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]methyl]-2-methylpropan-2-amine (PubChem CID 107310253) has the molecular formula C15H19Cl2N3 and a molecular weight of 312.24 g/mol. Its IUPAC name is N-[[1-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]methyl]-2-methylpropan-2-amine
PubChem CID107310253
Molecular FormulaC15H19Cl2N3
Molecular Weight312.24 g/mol
Exact Mass311.10
IUPAC NameN-[[1-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccn(Cc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C15H19Cl2N3/c1-15(2,3)18-9-12-7-8-20(19-12)10-11-5-4-6-13(16)14(11)17/h4-8,18H,9-10H2,1-3H3
InChIKeyOUXGSQYKLNBEEF-UHFFFAOYSA-N
XLogP4.13
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(6S)-6-(3,4-dichlorophenyl)-1-[(5-methylpyrazol-1-yl)methyl]-3-azabicyclo[4.1.0]heptane
CID 56659201
(1R,6S)-1-[(3-tert-butylpyrazol-1-yl)methyl]-6-(3,4-dichlorophenyl)-3-azabicyclo[4.1.0]heptane
CID 56662629
(6S)-6-(3,4-dichlorophenyl)-1-[(3-methylpyrazol-1-yl)methyl]-3-azabicyclo[4.1.0]heptane
CID 56669562
(1R)-1-(3-chlorophenyl)-N-((1-(4-(trifluoromethyl)phenyl)-1H-pyrazol-3-yl)methyl)ethanamine
CID 44543088
(R)-N-(2,3-dichlorobenzyl)-N-(pyridin-2-ylmethyl)pyrrolidin-3-amine
CID 44441335
(S)-N-(2,3-dichlorobenzyl)-N-(pyridin-2-ylmethyl)pyrrolidin-3-amine
CID 44441336
(2S)-1-(5,6-dichloroindazol-1-yl)propan-2-amine
CID 44452832
4-[1-[(2S)-2-anilinopropyl]pyrazol-3-yl]-2-chlorobenzonitrile
CID 155536822
3-Cyclopropyl-1-[(2,6-dichlorophenyl)methyl]pyrazole
CID 3832516
(S)-4-(1-(2-aminopropyl)-1H-pyrazol-3-yl)-2-chlorobenzonitrile
CID 67170882
1-Methyl-N-(2-phenylethyl)-1H-pyrazole-3-methanamine
CID 7017351
1-Benzyl-5-(2,3-dichlorophenyl)pyrazole
CID 44440433

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]methyl]-2-methylpropan-2-amine (CID 107310253) is N-[[1-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1ccn(Cc2cccc(Cl)c2Cl)n1.
What is the InChIKey of N-[[1-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is OUXGSQYKLNBEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N3/c1-15(2,3)18-9-12-7-8-20(19-12)10-11-5-4-6-13(16)14(11)17/h4-8,18H,9-10H2,1-3H3.
What are the key properties of N-[[1-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]methyl]-2-methylpropan-2-amine?
N-[[1-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 312.24 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 107310253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).