4-[1-[[(1S)-2-methylcyclopropyl]methyl]pyrazol-4-yl]benzene-1,2-diamine

C14H18N4 — CID 129246134

IUPAC4-[1-[[(1S)-2-methylcyclopropyl]methyl]pyrazol-4-yl]benzene-1,2-diamine
SMILESCC1C[C@@H]1Cn1cc(-c2ccc(N)c(N)c2)cn1
InChIInChI=1S/C14H18N4/c1-9-4-11(9)7-18-8-12(6-17-18)10-2-3-13(15)14(16)5-10/h2-3,5-6,8-9,11H,4,7,15-16H2,1H3/t9?,11-/m1/s1
InChIKeyJECSWOWNTKKXAO-HCCKASOXSA-N
MW242.33 g/mol
LogP2.37
Rot. Bonds3

About 4-[1-[[(1S)-2-methylcyclopropyl]methyl]pyrazol-4-yl]benzene-1,2-diamine

4-[1-[[(1S)-2-methylcyclopropyl]methyl]pyrazol-4-yl]benzene-1,2-diamine (PubChem CID 129246134) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 4-[1-[[(1S)-2-methylcyclopropyl]methyl]pyrazol-4-yl]benzene-1,2-diamine.

Molecular Properties

Compound Name4-[1-[[(1S)-2-methylcyclopropyl]methyl]pyrazol-4-yl]benzene-1,2-diamine
PubChem CID129246134
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name4-[1-[[(1S)-2-methylcyclopropyl]methyl]pyrazol-4-yl]benzene-1,2-diamine
SMILESCC1C[C@@H]1Cn1cc(-c2ccc(N)c(N)c2)cn1
InChIInChI=1S/C14H18N4/c1-9-4-11(9)7-18-8-12(6-17-18)10-2-3-13(15)14(16)5-10/h2-3,5-6,8-9,11H,4,7,15-16H2,1H3/t9?,11-/m1/s1
InChIKeyJECSWOWNTKKXAO-HCCKASOXSA-N
XLogP2.37
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[[(1S)-2-methylcyclopropyl]methyl]pyrazol-4-yl]benzene-1,2-diamine?
The IUPAC name of 4-[1-[[(1S)-2-methylcyclopropyl]methyl]pyrazol-4-yl]benzene-1,2-diamine (CID 129246134) is 4-[1-[[(1S)-2-methylcyclopropyl]methyl]pyrazol-4-yl]benzene-1,2-diamine.
What is the SMILES notation for 4-[1-[[(1S)-2-methylcyclopropyl]methyl]pyrazol-4-yl]benzene-1,2-diamine?
The canonical SMILES for 4-[1-[[(1S)-2-methylcyclopropyl]methyl]pyrazol-4-yl]benzene-1,2-diamine is CC1C[C@@H]1Cn1cc(-c2ccc(N)c(N)c2)cn1.
What is the InChIKey of 4-[1-[[(1S)-2-methylcyclopropyl]methyl]pyrazol-4-yl]benzene-1,2-diamine?
The InChIKey is JECSWOWNTKKXAO-HCCKASOXSA-N. The full InChI is InChI=1S/C14H18N4/c1-9-4-11(9)7-18-8-12(6-17-18)10-2-3-13(15)14(16)5-10/h2-3,5-6,8-9,11H,4,7,15-16H2,1H3/t9?,11-/m1/s1.
What are the key properties of 4-[1-[[(1S)-2-methylcyclopropyl]methyl]pyrazol-4-yl]benzene-1,2-diamine?
4-[1-[[(1S)-2-methylcyclopropyl]methyl]pyrazol-4-yl]benzene-1,2-diamine has a molecular weight of 242.33 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[(1S)-2-methylcyclopropyl]methyl]pyrazol-4-yl]benzene-1,2-diamine is sourced from PubChem (CID 129246134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).