4-(2-aminoethyl)-N,1,3-trimethyl-N-[(2-methylcyclopropyl)methyl]pyrazol-5-amine

C13H24N4 — CID 63865652

IUPAC4-(2-aminoethyl)-N,1,3-trimethyl-N-[(2-methylcyclopropyl)methyl]pyrazol-5-amine
SMILESCc1nn(C)c(N(C)CC2CC2C)c1CCN
InChIInChI=1S/C13H24N4/c1-9-7-11(9)8-16(3)13-12(5-6-14)10(2)15-17(13)4/h9,11H,5-8,14H2,1-4H3
InChIKeyUJPXSZBMWJWCMQ-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.32
Rot. Bonds5

About 4-(2-aminoethyl)-N,1,3-trimethyl-N-[(2-methylcyclopropyl)methyl]pyrazol-5-amine

4-(2-aminoethyl)-N,1,3-trimethyl-N-[(2-methylcyclopropyl)methyl]pyrazol-5-amine (PubChem CID 63865652) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N,1,3-trimethyl-N-[(2-methylcyclopropyl)methyl]pyrazol-5-amine.

Molecular Properties

Compound Name4-(2-aminoethyl)-N,1,3-trimethyl-N-[(2-methylcyclopropyl)methyl]pyrazol-5-amine
PubChem CID63865652
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name4-(2-aminoethyl)-N,1,3-trimethyl-N-[(2-methylcyclopropyl)methyl]pyrazol-5-amine
SMILESCc1nn(C)c(N(C)CC2CC2C)c1CCN
InChIInChI=1S/C13H24N4/c1-9-7-11(9)8-16(3)13-12(5-6-14)10(2)15-17(13)4/h9,11H,5-8,14H2,1-4H3
InChIKeyUJPXSZBMWJWCMQ-UHFFFAOYSA-N
XLogP1.32
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N,1,3-trimethyl-N-[(2-methylcyclopropyl)methyl]pyrazol-5-amine?
The IUPAC name of 4-(2-aminoethyl)-N,1,3-trimethyl-N-[(2-methylcyclopropyl)methyl]pyrazol-5-amine (CID 63865652) is 4-(2-aminoethyl)-N,1,3-trimethyl-N-[(2-methylcyclopropyl)methyl]pyrazol-5-amine.
What is the SMILES notation for 4-(2-aminoethyl)-N,1,3-trimethyl-N-[(2-methylcyclopropyl)methyl]pyrazol-5-amine?
The canonical SMILES for 4-(2-aminoethyl)-N,1,3-trimethyl-N-[(2-methylcyclopropyl)methyl]pyrazol-5-amine is Cc1nn(C)c(N(C)CC2CC2C)c1CCN.
What is the InChIKey of 4-(2-aminoethyl)-N,1,3-trimethyl-N-[(2-methylcyclopropyl)methyl]pyrazol-5-amine?
The InChIKey is UJPXSZBMWJWCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-9-7-11(9)8-16(3)13-12(5-6-14)10(2)15-17(13)4/h9,11H,5-8,14H2,1-4H3.
What are the key properties of 4-(2-aminoethyl)-N,1,3-trimethyl-N-[(2-methylcyclopropyl)methyl]pyrazol-5-amine?
4-(2-aminoethyl)-N,1,3-trimethyl-N-[(2-methylcyclopropyl)methyl]pyrazol-5-amine has a molecular weight of 236.36 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N,1,3-trimethyl-N-[(2-methylcyclopropyl)methyl]pyrazol-5-amine is sourced from PubChem (CID 63865652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).