N-[[1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]cyclopropyl]methyl]cyclopropanamine

C13H20ClN3 — CID 66026465

IUPACN-[[1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]cyclopropyl]methyl]cyclopropanamine
SMILESCc1nn(C)c(CC2(CNC3CC3)CC2)c1Cl
InChIInChI=1S/C13H20ClN3/c1-9-12(14)11(17(2)16-9)7-13(5-6-13)8-15-10-3-4-10/h10,15H,3-8H2,1-2H3
InChIKeyRCGKZHYSTHHJAW-UHFFFAOYSA-N
MW253.78 g/mol
LogP2.46
Rot. Bonds5

About N-[[1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]cyclopropyl]methyl]cyclopropanamine

N-[[1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]cyclopropyl]methyl]cyclopropanamine (PubChem CID 66026465) has the molecular formula C13H20ClN3 and a molecular weight of 253.78 g/mol. Its IUPAC name is N-[[1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]cyclopropyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]cyclopropyl]methyl]cyclopropanamine
PubChem CID66026465
Molecular FormulaC13H20ClN3
Molecular Weight253.78 g/mol
Exact Mass253.13
IUPAC NameN-[[1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]cyclopropyl]methyl]cyclopropanamine
SMILESCc1nn(C)c(CC2(CNC3CC3)CC2)c1Cl
InChIInChI=1S/C13H20ClN3/c1-9-12(14)11(17(2)16-9)7-13(5-6-13)8-15-10-3-4-10/h10,15H,3-8H2,1-2H3
InChIKeyRCGKZHYSTHHJAW-UHFFFAOYSA-N
XLogP2.46
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.78
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]cyclopropyl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]cyclopropyl]methyl]cyclopropanamine (CID 66026465) is N-[[1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]cyclopropyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]cyclopropyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]cyclopropyl]methyl]cyclopropanamine is Cc1nn(C)c(CC2(CNC3CC3)CC2)c1Cl.
What is the InChIKey of N-[[1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]cyclopropyl]methyl]cyclopropanamine?
The InChIKey is RCGKZHYSTHHJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3/c1-9-12(14)11(17(2)16-9)7-13(5-6-13)8-15-10-3-4-10/h10,15H,3-8H2,1-2H3.
What are the key properties of N-[[1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]cyclopropyl]methyl]cyclopropanamine?
N-[[1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]cyclopropyl]methyl]cyclopropanamine has a molecular weight of 253.78 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]cyclopropyl]methyl]cyclopropanamine is sourced from PubChem (CID 66026465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).