N'-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine

C14H27ClN4 — CID 79661433

IUPACN'-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
SMILESCCCN(Cc1c(C)nn(C)c1Cl)CC(C)(C)CN
InChIInChI=1S/C14H27ClN4/c1-6-7-19(10-14(3,4)9-16)8-12-11(2)17-18(5)13(12)15/h6-10,16H2,1-5H3
InChIKeyTTYMDIPCCOZYAN-UHFFFAOYSA-N
MW286.85 g/mol
LogP2.58
Rot. Bonds7

About N'-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine

N'-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine (PubChem CID 79661433) has the molecular formula C14H27ClN4 and a molecular weight of 286.85 g/mol. Its IUPAC name is N'-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
PubChem CID79661433
Molecular FormulaC14H27ClN4
Molecular Weight286.85 g/mol
Exact Mass286.19
IUPAC NameN'-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
SMILESCCCN(Cc1c(C)nn(C)c1Cl)CC(C)(C)CN
InChIInChI=1S/C14H27ClN4/c1-6-7-19(10-14(3,4)9-16)8-12-11(2)17-18(5)13(12)15/h6-10,16H2,1-5H3
InChIKeyTTYMDIPCCOZYAN-UHFFFAOYSA-N
XLogP2.58
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.85
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]butan-1-amine
CID 60795956
ethyl 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-propylamino]acetate
CID 62028850
N',2,2-trimethyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 79645097
N'-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79661679
3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-ethylamino]propan-1-ol
CID 115666454
3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-ethylamino]propanethioamide
CID 113469983
N'-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-N',2,2-trimethylpropane-1,3-diamine
CID 79651963
N'-[(3,5-dichlorophenyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79667468
N'-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 80606650
2,2-dimethyl-N'-propyl-N'-[(3-propylimidazol-4-yl)methyl]propane-1,3-diamine
CID 79660957
N'-[(1,3-diethylpyrazol-5-yl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79661919
N-butan-2-yl-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]butan-1-amine
CID 55005167

Frequently Asked Questions

What is the IUPAC name of N'-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine?
The IUPAC name of N'-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine (CID 79661433) is N'-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine.
What is the SMILES notation for N'-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine?
The canonical SMILES for N'-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine is CCCN(Cc1c(C)nn(C)c1Cl)CC(C)(C)CN.
What is the InChIKey of N'-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine?
The InChIKey is TTYMDIPCCOZYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27ClN4/c1-6-7-19(10-14(3,4)9-16)8-12-11(2)17-18(5)13(12)15/h6-10,16H2,1-5H3.
What are the key properties of N'-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine?
N'-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine has a molecular weight of 286.85 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 79661433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).