1-(4-chloro-1-ethylpyrazol-5-yl)-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine

C15H29ClN4 — CID 114656777

IUPAC1-(4-chloro-1-ethylpyrazol-5-yl)-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine
SMILESCCCNC(c1c(Cl)cnn1CC)C(C)(CC)N(C)C
InChIInChI=1S/C15H29ClN4/c1-7-10-17-14(15(4,8-2)19(5)6)13-12(16)11-18-20(13)9-3/h11,14,17H,7-10H2,1-6H3
InChIKeyWVUHDJFNCIOJEC-UHFFFAOYSA-N
MW300.88 g/mol
LogP3.33
Rot. Bonds8

About 1-(4-chloro-1-ethylpyrazol-5-yl)-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine

1-(4-chloro-1-ethylpyrazol-5-yl)-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine (PubChem CID 114656777) has the molecular formula C15H29ClN4 and a molecular weight of 300.88 g/mol. Its IUPAC name is 1-(4-chloro-1-ethylpyrazol-5-yl)-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine.

Molecular Properties

Compound Name1-(4-chloro-1-ethylpyrazol-5-yl)-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine
PubChem CID114656777
Molecular FormulaC15H29ClN4
Molecular Weight300.88 g/mol
Exact Mass300.21
IUPAC Name1-(4-chloro-1-ethylpyrazol-5-yl)-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine
SMILESCCCNC(c1c(Cl)cnn1CC)C(C)(CC)N(C)C
InChIInChI=1S/C15H29ClN4/c1-7-10-17-14(15(4,8-2)19(5)6)13-12(16)11-18-20(13)9-3/h11,14,17H,7-10H2,1-6H3
InChIKeyWVUHDJFNCIOJEC-UHFFFAOYSA-N
XLogP3.33
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.88
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-chloro-1-ethylpyrazol-5-yl)-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine with MolForge

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Related Compounds

1-(4-chloro-1-ethylpyrazol-5-yl)-2-methoxy-2-methyl-N-propylbutan-1-amine
CID 114661589
1-(4-chloro-1-ethylpyrazol-5-yl)-1-N,2-N,2-N-triethyl-2-methylbutane-1,2-diamine
CID 114656808
1-(4-chloro-1-propylpyrazol-5-yl)-2,2-dimethyl-N-propylbutan-1-amine
CID 105042810
1-(4-chloro-1-ethylpyrazol-5-yl)-2-N,2-N-diethyl-1-N,2-dimethylbutane-1,2-diamine
CID 114656801
1-(4-chloro-1-methylpyrazol-5-yl)-1-N,2-N,2-N,2-tetramethylbutane-1,2-diamine
CID 114656746
N-[(4-chloro-1-ethylpyrazol-5-yl)-cyclobutylmethyl]propan-1-amine
CID 114653224
1-(4-chloro-1-ethylpyrazol-5-yl)-3-cyclopentyl-N-propylpropan-1-amine
CID 105040614
1-(4-chloro-1-ethylpyrazol-5-yl)-2-N,2-N,2-triethyl-1-N-methylbutane-1,2-diamine
CID 114656930
2-N,2-N,2-trimethyl-1-(4-propan-2-ylphenyl)-1-N-propylbutane-1,2-diamine
CID 79057289
N-[1-(4-chloro-1-ethylpyrazol-5-yl)-2-ethylsulfanylethyl]propan-1-amine
CID 114653517
1-(4-chloro-1-methylpyrazol-5-yl)-2-methyl-N-propyl-2-pyrrolidin-1-ylpropan-1-amine
CID 114656648
1-(4-chloro-1-propylpyrazol-5-yl)-N,2-dipropylpentan-1-amine
CID 105042520

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-ethylpyrazol-5-yl)-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine?
The IUPAC name of 1-(4-chloro-1-ethylpyrazol-5-yl)-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine (CID 114656777) is 1-(4-chloro-1-ethylpyrazol-5-yl)-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine.
What is the SMILES notation for 1-(4-chloro-1-ethylpyrazol-5-yl)-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine?
The canonical SMILES for 1-(4-chloro-1-ethylpyrazol-5-yl)-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine is CCCNC(c1c(Cl)cnn1CC)C(C)(CC)N(C)C.
What is the InChIKey of 1-(4-chloro-1-ethylpyrazol-5-yl)-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine?
The InChIKey is WVUHDJFNCIOJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29ClN4/c1-7-10-17-14(15(4,8-2)19(5)6)13-12(16)11-18-20(13)9-3/h11,14,17H,7-10H2,1-6H3.
What are the key properties of 1-(4-chloro-1-ethylpyrazol-5-yl)-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine?
1-(4-chloro-1-ethylpyrazol-5-yl)-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine has a molecular weight of 300.88 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-ethylpyrazol-5-yl)-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine is sourced from PubChem (CID 114656777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).