N-[3-[1-(1-cyclopropylethyl)-3,5-dimethylpyrazol-4-yl]propyl]cyclopropanamine

C16H27N3 — CID 79225002

IUPACN-[3-[1-(1-cyclopropylethyl)-3,5-dimethylpyrazol-4-yl]propyl]cyclopropanamine
SMILESCc1nn(C(C)C2CC2)c(C)c1CCCNC1CC1
InChIInChI=1S/C16H27N3/c1-11-16(5-4-10-17-15-8-9-15)13(3)19(18-11)12(2)14-6-7-14/h12,14-15,17H,4-10H2,1-3H3
InChIKeyFZOJNUBRICACAE-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.16
Rot. Bonds7

About N-[3-[1-(1-cyclopropylethyl)-3,5-dimethylpyrazol-4-yl]propyl]cyclopropanamine

N-[3-[1-(1-cyclopropylethyl)-3,5-dimethylpyrazol-4-yl]propyl]cyclopropanamine (PubChem CID 79225002) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[3-[1-(1-cyclopropylethyl)-3,5-dimethylpyrazol-4-yl]propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-[1-(1-cyclopropylethyl)-3,5-dimethylpyrazol-4-yl]propyl]cyclopropanamine
PubChem CID79225002
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN-[3-[1-(1-cyclopropylethyl)-3,5-dimethylpyrazol-4-yl]propyl]cyclopropanamine
SMILESCc1nn(C(C)C2CC2)c(C)c1CCCNC1CC1
InChIInChI=1S/C16H27N3/c1-11-16(5-4-10-17-15-8-9-15)13(3)19(18-11)12(2)14-6-7-14/h12,14-15,17H,4-10H2,1-3H3
InChIKeyFZOJNUBRICACAE-UHFFFAOYSA-N
XLogP3.16
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(1-cyclopropylethyl)-3,5-dimethylpyrazol-4-yl]propyl]cyclopropanamine?
The IUPAC name of N-[3-[1-(1-cyclopropylethyl)-3,5-dimethylpyrazol-4-yl]propyl]cyclopropanamine (CID 79225002) is N-[3-[1-(1-cyclopropylethyl)-3,5-dimethylpyrazol-4-yl]propyl]cyclopropanamine.
What is the SMILES notation for N-[3-[1-(1-cyclopropylethyl)-3,5-dimethylpyrazol-4-yl]propyl]cyclopropanamine?
The canonical SMILES for N-[3-[1-(1-cyclopropylethyl)-3,5-dimethylpyrazol-4-yl]propyl]cyclopropanamine is Cc1nn(C(C)C2CC2)c(C)c1CCCNC1CC1.
What is the InChIKey of N-[3-[1-(1-cyclopropylethyl)-3,5-dimethylpyrazol-4-yl]propyl]cyclopropanamine?
The InChIKey is FZOJNUBRICACAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-11-16(5-4-10-17-15-8-9-15)13(3)19(18-11)12(2)14-6-7-14/h12,14-15,17H,4-10H2,1-3H3.
What are the key properties of N-[3-[1-(1-cyclopropylethyl)-3,5-dimethylpyrazol-4-yl]propyl]cyclopropanamine?
N-[3-[1-(1-cyclopropylethyl)-3,5-dimethylpyrazol-4-yl]propyl]cyclopropanamine has a molecular weight of 261.41 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(1-cyclopropylethyl)-3,5-dimethylpyrazol-4-yl]propyl]cyclopropanamine is sourced from PubChem (CID 79225002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).