2-methyl-1-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzene-1,4-diamine

C14H20N4 — CID 62041099

IUPAC2-methyl-1-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzene-1,4-diamine
SMILESCc1cc(N)ccc1NCCCc1cn[nH]c1C
InChIInChI=1S/C14H20N4/c1-10-8-13(15)5-6-14(10)16-7-3-4-12-9-17-18-11(12)2/h5-6,8-9,16H,3-4,7,15H2,1-2H3,(H,17,18)
InChIKeyWFMKBDZDOVWVDF-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.65
Rot. Bonds5

About 2-methyl-1-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzene-1,4-diamine

2-methyl-1-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzene-1,4-diamine (PubChem CID 62041099) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-methyl-1-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzene-1,4-diamine.

Molecular Properties

Compound Name2-methyl-1-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzene-1,4-diamine
PubChem CID62041099
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name2-methyl-1-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzene-1,4-diamine
SMILESCc1cc(N)ccc1NCCCc1cn[nH]c1C
InChIInChI=1S/C14H20N4/c1-10-8-13(15)5-6-14(10)16-7-3-4-12-9-17-18-11(12)2/h5-6,8-9,16H,3-4,7,15H2,1-2H3,(H,17,18)
InChIKeyWFMKBDZDOVWVDF-UHFFFAOYSA-N
XLogP2.65
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(difluoromethyl)-1-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzene-1,4-diamine
CID 63734281
2-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]quinoline-2,6-diamine
CID 62039822
4-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2,1,3-benzoxadiazole-4,7-diamine
CID 62040678
5-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-2,5-diamine
CID 62040677
2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-5-nitroaniline
CID 62588851
5-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,3-benzothiazole-4,5-diamine
CID 62039607
2-iodo-1-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzene-1,4-diamine
CID 66093758
1-(3-aminophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]methanesulfonamide
CID 62040239
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-(trifluoromethyl)aniline
CID 62312763
5-amino-2-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 62040232
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-4-(trifluoromethyl)aniline
CID 62648618
2-[2-amino-5-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]phenyl]acetonitrile
CID 102624210

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzene-1,4-diamine?
The IUPAC name of 2-methyl-1-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzene-1,4-diamine (CID 62041099) is 2-methyl-1-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzene-1,4-diamine.
What is the SMILES notation for 2-methyl-1-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzene-1,4-diamine?
The canonical SMILES for 2-methyl-1-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzene-1,4-diamine is Cc1cc(N)ccc1NCCCc1cn[nH]c1C.
What is the InChIKey of 2-methyl-1-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzene-1,4-diamine?
The InChIKey is WFMKBDZDOVWVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-10-8-13(15)5-6-14(10)16-7-3-4-12-9-17-18-11(12)2/h5-6,8-9,16H,3-4,7,15H2,1-2H3,(H,17,18).
What are the key properties of 2-methyl-1-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzene-1,4-diamine?
2-methyl-1-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzene-1,4-diamine has a molecular weight of 244.34 g/mol, XLogP of 2.65, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzene-1,4-diamine is sourced from PubChem (CID 62041099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).