2-methyl-N'-(1-methylpyrazol-3-yl)-1-phenylpropane-1,3-diamine

C14H20N4 — CID 103568647

IUPAC2-methyl-N'-(1-methylpyrazol-3-yl)-1-phenylpropane-1,3-diamine
SMILESCC(CNc1ccn(C)n1)C(N)c1ccccc1
InChIInChI=1S/C14H20N4/c1-11(10-16-13-8-9-18(2)17-13)14(15)12-6-4-3-5-7-12/h3-9,11,14H,10,15H2,1-2H3,(H,16,17)
InChIKeyKXVKNLGEWMRUAP-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.17
Rot. Bonds5

About 2-methyl-N'-(1-methylpyrazol-3-yl)-1-phenylpropane-1,3-diamine

2-methyl-N'-(1-methylpyrazol-3-yl)-1-phenylpropane-1,3-diamine (PubChem CID 103568647) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-methyl-N'-(1-methylpyrazol-3-yl)-1-phenylpropane-1,3-diamine.

Molecular Properties

Compound Name2-methyl-N'-(1-methylpyrazol-3-yl)-1-phenylpropane-1,3-diamine
PubChem CID103568647
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name2-methyl-N'-(1-methylpyrazol-3-yl)-1-phenylpropane-1,3-diamine
SMILESCC(CNc1ccn(C)n1)C(N)c1ccccc1
InChIInChI=1S/C14H20N4/c1-11(10-16-13-8-9-18(2)17-13)14(15)12-6-4-3-5-7-12/h3-9,11,14H,10,15H2,1-2H3,(H,16,17)
InChIKeyKXVKNLGEWMRUAP-UHFFFAOYSA-N
XLogP2.17
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[(1-methylpyrazol-3-yl)amino]propan-2-ol
CID 106932300
1-methyl-N-(4-methyl-4-phenylpentan-2-yl)pyrazol-3-amine
CID 60809957
2-ethyl-N'-(1-methylpyrazol-3-yl)propane-1,3-diamine
CID 103568549
1-(furan-2-yl)-2-[(1-methylpyrazol-3-yl)amino]ethanol
CID 79779478
1-ethyl-N-(2-phenylpropyl)pyrazol-3-amine
CID 114251829
2-[(1-methylpyrazol-3-yl)amino]acetaldehyde
CID 91444715
(1-methylpyrazol-3-yl)-phenylmethanamine
CID 65200403
1-methyl-N-(2-propan-2-yloxyethyl)pyrazol-3-amine
CID 79779073
3,3,3-trifluoro-2-[[(1-methylpyrazol-3-yl)amino]methyl]propanoic acid
CID 103256819
[2-(1-methylpyrazol-3-yl)-1-phenylethyl]hydrazine
CID 105199243
2-[(1-methylpyrazol-3-yl)amino]-2-phenylacetic acid
CID 103256803
N',N',2-trimethyl-1-phenylpropane-1,3-diamine
CID 62618546

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-(1-methylpyrazol-3-yl)-1-phenylpropane-1,3-diamine?
The IUPAC name of 2-methyl-N'-(1-methylpyrazol-3-yl)-1-phenylpropane-1,3-diamine (CID 103568647) is 2-methyl-N'-(1-methylpyrazol-3-yl)-1-phenylpropane-1,3-diamine.
What is the SMILES notation for 2-methyl-N'-(1-methylpyrazol-3-yl)-1-phenylpropane-1,3-diamine?
The canonical SMILES for 2-methyl-N'-(1-methylpyrazol-3-yl)-1-phenylpropane-1,3-diamine is CC(CNc1ccn(C)n1)C(N)c1ccccc1.
What is the InChIKey of 2-methyl-N'-(1-methylpyrazol-3-yl)-1-phenylpropane-1,3-diamine?
The InChIKey is KXVKNLGEWMRUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-11(10-16-13-8-9-18(2)17-13)14(15)12-6-4-3-5-7-12/h3-9,11,14H,10,15H2,1-2H3,(H,16,17).
What are the key properties of 2-methyl-N'-(1-methylpyrazol-3-yl)-1-phenylpropane-1,3-diamine?
2-methyl-N'-(1-methylpyrazol-3-yl)-1-phenylpropane-1,3-diamine has a molecular weight of 244.34 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-(1-methylpyrazol-3-yl)-1-phenylpropane-1,3-diamine is sourced from PubChem (CID 103568647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).