4-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-propan-2-yloxybenzene-1,4-diamine

C14H20N4O — CID 83002244

IUPAC4-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-propan-2-yloxybenzene-1,4-diamine
SMILESCc1[nH]ncc1CNc1ccc(N)c(OC(C)C)c1
InChIInChI=1S/C14H20N4O/c1-9(2)19-14-6-12(4-5-13(14)15)16-7-11-8-17-18-10(11)3/h4-6,8-9,16H,7,15H2,1-3H3,(H,17,18)
InChIKeyIIVPEHCOUASGFD-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.70
Rot. Bonds5

About 4-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-propan-2-yloxybenzene-1,4-diamine

4-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-propan-2-yloxybenzene-1,4-diamine (PubChem CID 83002244) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-propan-2-yloxybenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-propan-2-yloxybenzene-1,4-diamine
PubChem CID83002244
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name4-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-propan-2-yloxybenzene-1,4-diamine
SMILESCc1[nH]ncc1CNc1ccc(N)c(OC(C)C)c1
InChIInChI=1S/C14H20N4O/c1-9(2)19-14-6-12(4-5-13(14)15)16-7-11-8-17-18-10(11)3/h4-6,8-9,16H,7,15H2,1-3H3,(H,17,18)
InChIKeyIIVPEHCOUASGFD-UHFFFAOYSA-N
XLogP2.70
TPSA75.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-4-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzene-1,4-diamine
CID 63675675
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-propan-2-yloxyaniline
CID 43663707
4-N-[(2-methylphenyl)methyl]-2-propan-2-yloxybenzene-1,4-diamine
CID 83002662
2-propan-2-yloxy-4-N-(1H-1,2,4-triazol-5-ylmethyl)benzene-1,4-diamine
CID 83001895
3-chloro-4-(difluoromethoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline
CID 43663580
4-N-[(2,5-difluorophenyl)methyl]-2-propan-2-yloxybenzene-1,4-diamine
CID 83005121
3-fluoro-4-methoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline
CID 43663743
3-bromo-4-methoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline
CID 63998059
4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propan-2-yloxybenzene-1,4-diamine
CID 83002592
2-amino-N-methyl-4-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzenesulfonamide
CID 80645661
4-N-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-yloxybenzene-1,4-diamine
CID 83002942
3-chloro-4-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline
CID 54864056

Frequently Asked Questions

What is the IUPAC name of 4-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-propan-2-yloxybenzene-1,4-diamine?
The IUPAC name of 4-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-propan-2-yloxybenzene-1,4-diamine (CID 83002244) is 4-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-propan-2-yloxybenzene-1,4-diamine.
What is the SMILES notation for 4-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-propan-2-yloxybenzene-1,4-diamine?
The canonical SMILES for 4-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-propan-2-yloxybenzene-1,4-diamine is Cc1[nH]ncc1CNc1ccc(N)c(OC(C)C)c1.
What is the InChIKey of 4-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-propan-2-yloxybenzene-1,4-diamine?
The InChIKey is IIVPEHCOUASGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-9(2)19-14-6-12(4-5-13(14)15)16-7-11-8-17-18-10(11)3/h4-6,8-9,16H,7,15H2,1-3H3,(H,17,18).
What are the key properties of 4-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-propan-2-yloxybenzene-1,4-diamine?
4-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-propan-2-yloxybenzene-1,4-diamine has a molecular weight of 260.34 g/mol, XLogP of 2.70, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-propan-2-yloxybenzene-1,4-diamine is sourced from PubChem (CID 83002244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).