N'-[(1-methylpyrazol-3-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine

C11H22N4 — CID 82866083

IUPACN'-[(1-methylpyrazol-3-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine
SMILESCC(C)N(CCCN)Cc1ccn(C)n1
InChIInChI=1S/C11H22N4/c1-10(2)15(7-4-6-12)9-11-5-8-14(3)13-11/h5,8,10H,4,6-7,9,12H2,1-3H3
InChIKeyUFUSZXNAQYIECU-UHFFFAOYSA-N
MW210.32 g/mol
LogP0.98
Rot. Bonds6

About N'-[(1-methylpyrazol-3-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine

N'-[(1-methylpyrazol-3-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine (PubChem CID 82866083) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is N'-[(1-methylpyrazol-3-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(1-methylpyrazol-3-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine
PubChem CID82866083
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC NameN'-[(1-methylpyrazol-3-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine
SMILESCC(C)N(CCCN)Cc1ccn(C)n1
InChIInChI=1S/C11H22N4/c1-10(2)15(7-4-6-12)9-11-5-8-14(3)13-11/h5,8,10H,4,6-7,9,12H2,1-3H3
InChIKeyUFUSZXNAQYIECU-UHFFFAOYSA-N
XLogP0.98
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[(1-methylpyrazol-3-yl)methyl]-N-propan-2-ylpropan-1-amine
CID 82871800
N'-ethyl-N'-[(1-methylpyrazol-3-yl)methyl]propane-1,3-diamine
CID 82865963
N'-[(1-methylpyrazol-3-yl)methyl]-N'-pentan-3-ylethane-1,2-diamine
CID 82870861
N'-(4-methylphenyl)-N'-[(1-methylpyrazol-3-yl)methyl]propane-1,3-diamine
CID 82866805
N'-(3-fluorophenyl)-N'-[(1-methylpyrazol-3-yl)methyl]propane-1,3-diamine
CID 82865395
N'-[(1-cyclopentylpyrazol-3-yl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 64800221
1-methyl-1-[(1-methylpyrazol-3-yl)methyl]hydrazine
CID 123416642
N'-cyclopropyl-N'-[(1-methylpyrazol-3-yl)methyl]ethane-1,2-diamine
CID 82866808
N'-cyclopentyl-N'-[(1-methylpyrazol-3-yl)methyl]ethane-1,2-diamine
CID 82866285
2-methyl-2-N-[(1-methylpyrazol-3-yl)methyl]-2-N-propylbutane-1,2-diamine
CID 82865398
N'-[(2-methylphenyl)methyl]-N'-propan-2-ylpropane-1,3-diamine
CID 43137393
N'-ethyl-N'-[(1-pentan-3-ylpyrazol-3-yl)methyl]propane-1,3-diamine
CID 64800022

Frequently Asked Questions

What is the IUPAC name of N'-[(1-methylpyrazol-3-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-[(1-methylpyrazol-3-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine (CID 82866083) is N'-[(1-methylpyrazol-3-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-[(1-methylpyrazol-3-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-[(1-methylpyrazol-3-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine is CC(C)N(CCCN)Cc1ccn(C)n1.
What is the InChIKey of N'-[(1-methylpyrazol-3-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine?
The InChIKey is UFUSZXNAQYIECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-10(2)15(7-4-6-12)9-11-5-8-14(3)13-11/h5,8,10H,4,6-7,9,12H2,1-3H3.
What are the key properties of N'-[(1-methylpyrazol-3-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine?
N'-[(1-methylpyrazol-3-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine has a molecular weight of 210.32 g/mol, XLogP of 0.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1-methylpyrazol-3-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 82866083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).