N-[2-[3,5-dimethyl-1-(3-methylbutyl)pyrazol-4-yl]propyl]cyclopropanamine

C16H29N3 — CID 79225433

IUPACN-[2-[3,5-dimethyl-1-(3-methylbutyl)pyrazol-4-yl]propyl]cyclopropanamine
SMILESCc1nn(CCC(C)C)c(C)c1C(C)CNC1CC1
InChIInChI=1S/C16H29N3/c1-11(2)8-9-19-14(5)16(13(4)18-19)12(3)10-17-15-6-7-15/h11-12,15,17H,6-10H2,1-5H3
InChIKeyINTJZZJKTWBOQX-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.40
Rot. Bonds7

About N-[2-[3,5-dimethyl-1-(3-methylbutyl)pyrazol-4-yl]propyl]cyclopropanamine

N-[2-[3,5-dimethyl-1-(3-methylbutyl)pyrazol-4-yl]propyl]cyclopropanamine (PubChem CID 79225433) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is N-[2-[3,5-dimethyl-1-(3-methylbutyl)pyrazol-4-yl]propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[3,5-dimethyl-1-(3-methylbutyl)pyrazol-4-yl]propyl]cyclopropanamine
PubChem CID79225433
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC NameN-[2-[3,5-dimethyl-1-(3-methylbutyl)pyrazol-4-yl]propyl]cyclopropanamine
SMILESCc1nn(CCC(C)C)c(C)c1C(C)CNC1CC1
InChIInChI=1S/C16H29N3/c1-11(2)8-9-19-14(5)16(13(4)18-19)12(3)10-17-15-6-7-15/h11-12,15,17H,6-10H2,1-5H3
InChIKeyINTJZZJKTWBOQX-UHFFFAOYSA-N
XLogP3.40
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3,5-dimethyl-1-(3-methylbutyl)pyrazol-4-yl]propyl]cyclopropanamine?
The IUPAC name of N-[2-[3,5-dimethyl-1-(3-methylbutyl)pyrazol-4-yl]propyl]cyclopropanamine (CID 79225433) is N-[2-[3,5-dimethyl-1-(3-methylbutyl)pyrazol-4-yl]propyl]cyclopropanamine.
What is the SMILES notation for N-[2-[3,5-dimethyl-1-(3-methylbutyl)pyrazol-4-yl]propyl]cyclopropanamine?
The canonical SMILES for N-[2-[3,5-dimethyl-1-(3-methylbutyl)pyrazol-4-yl]propyl]cyclopropanamine is Cc1nn(CCC(C)C)c(C)c1C(C)CNC1CC1.
What is the InChIKey of N-[2-[3,5-dimethyl-1-(3-methylbutyl)pyrazol-4-yl]propyl]cyclopropanamine?
The InChIKey is INTJZZJKTWBOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-11(2)8-9-19-14(5)16(13(4)18-19)12(3)10-17-15-6-7-15/h11-12,15,17H,6-10H2,1-5H3.
What are the key properties of N-[2-[3,5-dimethyl-1-(3-methylbutyl)pyrazol-4-yl]propyl]cyclopropanamine?
N-[2-[3,5-dimethyl-1-(3-methylbutyl)pyrazol-4-yl]propyl]cyclopropanamine has a molecular weight of 263.43 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3,5-dimethyl-1-(3-methylbutyl)pyrazol-4-yl]propyl]cyclopropanamine is sourced from PubChem (CID 79225433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).