1-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)cyclopropan-1-amine

C13H21N3 — CID 105475005

IUPAC1-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)cyclopropan-1-amine
SMILESCc1nn(C2CCCC2)c(C)c1C1(N)CC1
InChIInChI=1S/C13H21N3/c1-9-12(13(14)7-8-13)10(2)16(15-9)11-5-3-4-6-11/h11H,3-8,14H2,1-2H3
InChIKeyDYAOGECKLSJEFM-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.56
Rot. Bonds2

About 1-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)cyclopropan-1-amine

1-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)cyclopropan-1-amine (PubChem CID 105475005) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)cyclopropan-1-amine
PubChem CID105475005
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name1-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)cyclopropan-1-amine
SMILESCc1nn(C2CCCC2)c(C)c1C1(N)CC1
InChIInChI=1S/C13H21N3/c1-9-12(13(14)7-8-13)10(2)16(15-9)11-5-3-4-6-11/h11H,3-8,14H2,1-2H3
InChIKeyDYAOGECKLSJEFM-UHFFFAOYSA-N
XLogP2.56
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)cyclopropan-1-amine?
The IUPAC name of 1-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)cyclopropan-1-amine (CID 105475005) is 1-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)cyclopropan-1-amine.
What is the SMILES notation for 1-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)cyclopropan-1-amine?
The canonical SMILES for 1-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)cyclopropan-1-amine is Cc1nn(C2CCCC2)c(C)c1C1(N)CC1.
What is the InChIKey of 1-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)cyclopropan-1-amine?
The InChIKey is DYAOGECKLSJEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-9-12(13(14)7-8-13)10(2)16(15-9)11-5-3-4-6-11/h11H,3-8,14H2,1-2H3.
What are the key properties of 1-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)cyclopropan-1-amine?
1-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)cyclopropan-1-amine has a molecular weight of 219.33 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)cyclopropan-1-amine is sourced from PubChem (CID 105475005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).