N-[(1-butyl-5-propan-2-ylpyrazol-4-yl)methyl]cyclopropanamine

C14H25N3 — CID 66440340

IUPACN-[(1-butyl-5-propan-2-ylpyrazol-4-yl)methyl]cyclopropanamine
SMILESCCCCn1ncc(CNC2CC2)c1C(C)C
InChIInChI=1S/C14H25N3/c1-4-5-8-17-14(11(2)3)12(10-16-17)9-15-13-6-7-13/h10-11,13,15H,4-9H2,1-3H3
InChIKeyQMRJXWFBOZKCBG-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.06
Rot. Bonds7

About N-[(1-butyl-5-propan-2-ylpyrazol-4-yl)methyl]cyclopropanamine

N-[(1-butyl-5-propan-2-ylpyrazol-4-yl)methyl]cyclopropanamine (PubChem CID 66440340) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[(1-butyl-5-propan-2-ylpyrazol-4-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(1-butyl-5-propan-2-ylpyrazol-4-yl)methyl]cyclopropanamine
PubChem CID66440340
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC NameN-[(1-butyl-5-propan-2-ylpyrazol-4-yl)methyl]cyclopropanamine
SMILESCCCCn1ncc(CNC2CC2)c1C(C)C
InChIInChI=1S/C14H25N3/c1-4-5-8-17-14(11(2)3)12(10-16-17)9-15-13-6-7-13/h10-11,13,15H,4-9H2,1-3H3
InChIKeyQMRJXWFBOZKCBG-UHFFFAOYSA-N
XLogP3.06
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-butyl-5-propan-2-ylpyrazol-4-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(1-butyl-5-propan-2-ylpyrazol-4-yl)methyl]cyclopropanamine (CID 66440340) is N-[(1-butyl-5-propan-2-ylpyrazol-4-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(1-butyl-5-propan-2-ylpyrazol-4-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(1-butyl-5-propan-2-ylpyrazol-4-yl)methyl]cyclopropanamine is CCCCn1ncc(CNC2CC2)c1C(C)C.
What is the InChIKey of N-[(1-butyl-5-propan-2-ylpyrazol-4-yl)methyl]cyclopropanamine?
The InChIKey is QMRJXWFBOZKCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-4-5-8-17-14(11(2)3)12(10-16-17)9-15-13-6-7-13/h10-11,13,15H,4-9H2,1-3H3.
What are the key properties of N-[(1-butyl-5-propan-2-ylpyrazol-4-yl)methyl]cyclopropanamine?
N-[(1-butyl-5-propan-2-ylpyrazol-4-yl)methyl]cyclopropanamine has a molecular weight of 235.37 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-butyl-5-propan-2-ylpyrazol-4-yl)methyl]cyclopropanamine is sourced from PubChem (CID 66440340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).