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

C10H20N4 — CID 104868147

IUPAC(2R)-2-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]propane-1,2-diamine
SMILESCc1n[nH]c(C)c1CCN[C@H](C)CN
InChIInChI=1S/C10H20N4/c1-7(6-11)12-5-4-10-8(2)13-14-9(10)3/h7,12H,4-6,11H2,1-3H3,(H,13,14)/t7-/m1/s1
InChIKeyVAJKGSDRQZKMBO-SSDOTTSWSA-N
MW196.30 g/mol
LogP0.51
Rot. Bonds5

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

(2R)-2-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]propane-1,2-diamine (PubChem CID 104868147) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is (2R)-2-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]propane-1,2-diamine.

Molecular Properties

Compound Name(2R)-2-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]propane-1,2-diamine
PubChem CID104868147
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC Name(2R)-2-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]propane-1,2-diamine
SMILESCc1n[nH]c(C)c1CCN[C@H](C)CN
InChIInChI=1S/C10H20N4/c1-7(6-11)12-5-4-10-8(2)13-14-9(10)3/h7,12H,4-6,11H2,1-3H3,(H,13,14)/t7-/m1/s1
InChIKeyVAJKGSDRQZKMBO-SSDOTTSWSA-N
XLogP0.51
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]propane-1,2-diamine?
The IUPAC name of (2R)-2-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]propane-1,2-diamine (CID 104868147) is (2R)-2-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]propane-1,2-diamine.
What is the SMILES notation for (2R)-2-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]propane-1,2-diamine?
The canonical SMILES for (2R)-2-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]propane-1,2-diamine is Cc1n[nH]c(C)c1CCN[C@H](C)CN.
What is the InChIKey of (2R)-2-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]propane-1,2-diamine?
The InChIKey is VAJKGSDRQZKMBO-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H20N4/c1-7(6-11)12-5-4-10-8(2)13-14-9(10)3/h7,12H,4-6,11H2,1-3H3,(H,13,14)/t7-/m1/s1.
What are the key properties of (2R)-2-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]propane-1,2-diamine?
(2R)-2-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]propane-1,2-diamine has a molecular weight of 196.30 g/mol, XLogP of 0.51, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]propane-1,2-diamine is sourced from PubChem (CID 104868147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).