N-[[1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]cyclopropyl]methyl]propan-2-amine

C15H26BrN3 — CID 66024898

IUPACN-[[1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]cyclopropyl]methyl]propan-2-amine
SMILESCCc1nn(CC)c(CC2(CNC(C)C)CC2)c1Br
InChIInChI=1S/C15H26BrN3/c1-5-12-14(16)13(19(6-2)18-12)9-15(7-8-15)10-17-11(3)4/h11,17H,5-10H2,1-4H3
InChIKeyKBBISFFMHRYWRF-UHFFFAOYSA-N
MW328.30 g/mol
LogP3.55
Rot. Bonds7

About N-[[1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]cyclopropyl]methyl]propan-2-amine

N-[[1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]cyclopropyl]methyl]propan-2-amine (PubChem CID 66024898) has the molecular formula C15H26BrN3 and a molecular weight of 328.30 g/mol. Its IUPAC name is N-[[1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]cyclopropyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]cyclopropyl]methyl]propan-2-amine
PubChem CID66024898
Molecular FormulaC15H26BrN3
Molecular Weight328.30 g/mol
Exact Mass327.13
IUPAC NameN-[[1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]cyclopropyl]methyl]propan-2-amine
SMILESCCc1nn(CC)c(CC2(CNC(C)C)CC2)c1Br
InChIInChI=1S/C15H26BrN3/c1-5-12-14(16)13(19(6-2)18-12)9-15(7-8-15)10-17-11(3)4/h11,17H,5-10H2,1-4H3
InChIKeyKBBISFFMHRYWRF-UHFFFAOYSA-N
XLogP3.55
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.30
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]cyclopropyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]cyclopropyl]methyl]propan-2-amine (CID 66024898) is N-[[1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]cyclopropyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]cyclopropyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]cyclopropyl]methyl]propan-2-amine is CCc1nn(CC)c(CC2(CNC(C)C)CC2)c1Br.
What is the InChIKey of N-[[1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]cyclopropyl]methyl]propan-2-amine?
The InChIKey is KBBISFFMHRYWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26BrN3/c1-5-12-14(16)13(19(6-2)18-12)9-15(7-8-15)10-17-11(3)4/h11,17H,5-10H2,1-4H3.
What are the key properties of N-[[1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]cyclopropyl]methyl]propan-2-amine?
N-[[1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]cyclopropyl]methyl]propan-2-amine has a molecular weight of 328.30 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]cyclopropyl]methyl]propan-2-amine is sourced from PubChem (CID 66024898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).