N-methyl-N-(3-methylbutyl)-1-(1-phenylpyrazol-4-yl)ethane-1,2-diamine

C17H26N4 — CID 61429542

IUPACN-methyl-N-(3-methylbutyl)-1-(1-phenylpyrazol-4-yl)ethane-1,2-diamine
SMILESCC(C)CCN(C)C(CN)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C17H26N4/c1-14(2)9-10-20(3)17(11-18)15-12-19-21(13-15)16-7-5-4-6-8-16/h4-8,12-14,17H,9-11,18H2,1-3H3
InChIKeyNLHDBQDUSSMDPY-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.85
Rot. Bonds7

About N-methyl-N-(3-methylbutyl)-1-(1-phenylpyrazol-4-yl)ethane-1,2-diamine

N-methyl-N-(3-methylbutyl)-1-(1-phenylpyrazol-4-yl)ethane-1,2-diamine (PubChem CID 61429542) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is N-methyl-N-(3-methylbutyl)-1-(1-phenylpyrazol-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N-(3-methylbutyl)-1-(1-phenylpyrazol-4-yl)ethane-1,2-diamine
PubChem CID61429542
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC NameN-methyl-N-(3-methylbutyl)-1-(1-phenylpyrazol-4-yl)ethane-1,2-diamine
SMILESCC(C)CCN(C)C(CN)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C17H26N4/c1-14(2)9-10-20(3)17(11-18)15-12-19-21(13-15)16-7-5-4-6-8-16/h4-8,12-14,17H,9-11,18H2,1-3H3
InChIKeyNLHDBQDUSSMDPY-UHFFFAOYSA-N
XLogP2.85
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,3,3-trifluoro-2-(1-phenylpyrazol-4-yl)propan-1-amine
CID 82534378
N-methyl-N-(3-methylbutyl)-1-(6-methyl-3-pyridinyl)ethane-1,2-diamine
CID 104822189
1-(1-ethylpyrazol-4-yl)-N-methyl-N-(2-phenylethyl)ethane-1,2-diamine
CID 103569668
4-(1-chloro-3-methylbutyl)-1-phenylpyrazole
CID 61085631
(1R,2R)-N,N,2,3-tetramethyl-1-(1-phenylpyrazol-4-yl)butan-1-amine
CID 130465956
1-(1-phenylpyrazol-4-yl)ethylhydrazine
CID 81470645
1-(4-chlorophenyl)-N-methyl-N-(3-methylbutyl)ethane-1,2-diamine
CID 61429742
(1-phenylpyrazol-4-yl)methanediol
CID 70397428
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 56793000
2-[1-(1-phenylpyrazol-4-yl)ethylamino]ethanesulfonamide
CID 81470721
N,2-dimethyl-1-(1-phenylpyrazol-4-yl)propan-1-amine
CID 43486000
[3-methyl-1-(1-phenylpyrazol-4-yl)hexyl]hydrazine
CID 105298119

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methylbutyl)-1-(1-phenylpyrazol-4-yl)ethane-1,2-diamine?
The IUPAC name of N-methyl-N-(3-methylbutyl)-1-(1-phenylpyrazol-4-yl)ethane-1,2-diamine (CID 61429542) is N-methyl-N-(3-methylbutyl)-1-(1-phenylpyrazol-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N-methyl-N-(3-methylbutyl)-1-(1-phenylpyrazol-4-yl)ethane-1,2-diamine?
The canonical SMILES for N-methyl-N-(3-methylbutyl)-1-(1-phenylpyrazol-4-yl)ethane-1,2-diamine is CC(C)CCN(C)C(CN)c1cnn(-c2ccccc2)c1.
What is the InChIKey of N-methyl-N-(3-methylbutyl)-1-(1-phenylpyrazol-4-yl)ethane-1,2-diamine?
The InChIKey is NLHDBQDUSSMDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-14(2)9-10-20(3)17(11-18)15-12-19-21(13-15)16-7-5-4-6-8-16/h4-8,12-14,17H,9-11,18H2,1-3H3.
What are the key properties of N-methyl-N-(3-methylbutyl)-1-(1-phenylpyrazol-4-yl)ethane-1,2-diamine?
N-methyl-N-(3-methylbutyl)-1-(1-phenylpyrazol-4-yl)ethane-1,2-diamine has a molecular weight of 286.42 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methylbutyl)-1-(1-phenylpyrazol-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 61429542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).