1-N-cyclopropyl-2-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]propane-1,2-diamine

C13H24N4 — CID 113407491

IUPAC1-N-cyclopropyl-2-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]propane-1,2-diamine
SMILESCc1n[nH]c(C)c1CCNC(C)CNC1CC1
InChIInChI=1S/C13H24N4/c1-9(8-15-12-4-5-12)14-7-6-13-10(2)16-17-11(13)3/h9,12,14-15H,4-8H2,1-3H3,(H,16,17)
InChIKeyWPPUTYOQFOBQRP-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.30
Rot. Bonds7

About 1-N-cyclopropyl-2-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]propane-1,2-diamine

1-N-cyclopropyl-2-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]propane-1,2-diamine (PubChem CID 113407491) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-N-cyclopropyl-2-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]propane-1,2-diamine.

Molecular Properties

Compound Name1-N-cyclopropyl-2-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]propane-1,2-diamine
PubChem CID113407491
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name1-N-cyclopropyl-2-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]propane-1,2-diamine
SMILESCc1n[nH]c(C)c1CCNC(C)CNC1CC1
InChIInChI=1S/C13H24N4/c1-9(8-15-12-4-5-12)14-7-6-13-10(2)16-17-11(13)3/h9,12,14-15H,4-8H2,1-3H3,(H,16,17)
InChIKeyWPPUTYOQFOBQRP-UHFFFAOYSA-N
XLogP1.30
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-2-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]propane-1,2-diamine?
The IUPAC name of 1-N-cyclopropyl-2-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]propane-1,2-diamine (CID 113407491) is 1-N-cyclopropyl-2-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]propane-1,2-diamine.
What is the SMILES notation for 1-N-cyclopropyl-2-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]propane-1,2-diamine?
The canonical SMILES for 1-N-cyclopropyl-2-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]propane-1,2-diamine is Cc1n[nH]c(C)c1CCNC(C)CNC1CC1.
What is the InChIKey of 1-N-cyclopropyl-2-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]propane-1,2-diamine?
The InChIKey is WPPUTYOQFOBQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-9(8-15-12-4-5-12)14-7-6-13-10(2)16-17-11(13)3/h9,12,14-15H,4-8H2,1-3H3,(H,16,17).
What are the key properties of 1-N-cyclopropyl-2-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]propane-1,2-diamine?
1-N-cyclopropyl-2-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]propane-1,2-diamine has a molecular weight of 236.36 g/mol, XLogP of 1.30, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-2-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]propane-1,2-diamine is sourced from PubChem (CID 113407491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).