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

C14H25N3 — CID 79225703

IUPACN-[3-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)propyl]cyclopropanamine
SMILESCc1nn(C(C)C)c(C)c1CCCNC1CC1
InChIInChI=1S/C14H25N3/c1-10(2)17-12(4)14(11(3)16-17)6-5-9-15-13-7-8-13/h10,13,15H,5-9H2,1-4H3
InChIKeyPVCXJVZAHKJJBZ-UHFFFAOYSA-N
MW235.38 g/mol
LogP2.77
Rot. Bonds6

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

N-[3-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)propyl]cyclopropanamine (PubChem CID 79225703) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is N-[3-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)propyl]cyclopropanamine
PubChem CID79225703
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC NameN-[3-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)propyl]cyclopropanamine
SMILESCc1nn(C(C)C)c(C)c1CCCNC1CC1
InChIInChI=1S/C14H25N3/c1-10(2)17-12(4)14(11(3)16-17)6-5-9-15-13-7-8-13/h10,13,15H,5-9H2,1-4H3
InChIKeyPVCXJVZAHKJJBZ-UHFFFAOYSA-N
XLogP2.77
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 52.77
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-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)propyl]cyclopropanamine?
The IUPAC name of N-[3-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)propyl]cyclopropanamine (CID 79225703) is N-[3-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)propyl]cyclopropanamine.
What is the SMILES notation for N-[3-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)propyl]cyclopropanamine?
The canonical SMILES for N-[3-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)propyl]cyclopropanamine is Cc1nn(C(C)C)c(C)c1CCCNC1CC1.
What is the InChIKey of N-[3-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)propyl]cyclopropanamine?
The InChIKey is PVCXJVZAHKJJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-10(2)17-12(4)14(11(3)16-17)6-5-9-15-13-7-8-13/h10,13,15H,5-9H2,1-4H3.
What are the key properties of N-[3-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)propyl]cyclopropanamine?
N-[3-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)propyl]cyclopropanamine has a molecular weight of 235.38 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)propyl]cyclopropanamine is sourced from PubChem (CID 79225703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).