N'-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethane-1,2-diamine

C10H20N4 — CID 60888952

IUPACN'-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethane-1,2-diamine
SMILESCC(C)c1nn(C)cc1CNCCN
InChIInChI=1S/C10H20N4/c1-8(2)10-9(6-12-5-4-11)7-14(3)13-10/h7-8,12H,4-6,11H2,1-3H3
InChIKeyQZADDPRSDBCKIJ-UHFFFAOYSA-N
MW196.30 g/mol
LogP0.59
Rot. Bonds5

About N'-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethane-1,2-diamine

N'-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethane-1,2-diamine (PubChem CID 60888952) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is N'-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethane-1,2-diamine
PubChem CID60888952
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC NameN'-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethane-1,2-diamine
SMILESCC(C)c1nn(C)cc1CNCCN
InChIInChI=1S/C10H20N4/c1-8(2)10-9(6-12-5-4-11)7-14(3)13-10/h7-8,12H,4-6,11H2,1-3H3
InChIKeyQZADDPRSDBCKIJ-UHFFFAOYSA-N
XLogP0.59
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]pentan-1-amine
CID 54893522
N',N'-diethyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 43761834
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-3-(2-methylpropoxy)propan-1-amine
CID 43770150
1-(1,3-dimethylpyrazol-4-yl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 112705302
methyl 4-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]butanoate
CID 60782492
3-ethenoxy-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine
CID 43771284
2-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]acetamide
CID 43754758
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79353474
2,2,2-trifluoro-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine
CID 43755117
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]prop-2-en-1-amine
CID 43755432
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 63332595
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-phenylmethanamine
CID 43757047

Frequently Asked Questions

What is the IUPAC name of N'-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethane-1,2-diamine (CID 60888952) is N'-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethane-1,2-diamine is CC(C)c1nn(C)cc1CNCCN.
What is the InChIKey of N'-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethane-1,2-diamine?
The InChIKey is QZADDPRSDBCKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-8(2)10-9(6-12-5-4-11)7-14(3)13-10/h7-8,12H,4-6,11H2,1-3H3.
What are the key properties of N'-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethane-1,2-diamine?
N'-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethane-1,2-diamine has a molecular weight of 196.30 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 60888952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).