N-[[1-(5-bromo-2-pyridinyl)-5-propylpyrazol-4-yl]methyl]cyclopropanamine

C15H19BrN4 — CID 66440205

IUPACN-[[1-(5-bromo-2-pyridinyl)-5-propylpyrazol-4-yl]methyl]cyclopropanamine
SMILESCCCc1c(CNC2CC2)cnn1-c1ccc(Br)cn1
InChIInChI=1S/C15H19BrN4/c1-2-3-14-11(8-17-13-5-6-13)9-19-20(14)15-7-4-12(16)10-18-15/h4,7,9-10,13,17H,2-3,5-6,8H2,1H3
InChIKeyKLIREMJPTIWWGL-UHFFFAOYSA-N
MW335.25 g/mol
LogP3.23
Rot. Bonds6

About N-[[1-(5-bromo-2-pyridinyl)-5-propylpyrazol-4-yl]methyl]cyclopropanamine

N-[[1-(5-bromo-2-pyridinyl)-5-propylpyrazol-4-yl]methyl]cyclopropanamine (PubChem CID 66440205) has the molecular formula C15H19BrN4 and a molecular weight of 335.25 g/mol. Its IUPAC name is N-[[1-(5-bromo-2-pyridinyl)-5-propylpyrazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(5-bromo-2-pyridinyl)-5-propylpyrazol-4-yl]methyl]cyclopropanamine
PubChem CID66440205
Molecular FormulaC15H19BrN4
Molecular Weight335.25 g/mol
Exact Mass334.08
IUPAC NameN-[[1-(5-bromo-2-pyridinyl)-5-propylpyrazol-4-yl]methyl]cyclopropanamine
SMILESCCCc1c(CNC2CC2)cnn1-c1ccc(Br)cn1
InChIInChI=1S/C15H19BrN4/c1-2-3-14-11(8-17-13-5-6-13)9-19-20(14)15-7-4-12(16)10-18-15/h4,7,9-10,13,17H,2-3,5-6,8H2,1H3
InChIKeyKLIREMJPTIWWGL-UHFFFAOYSA-N
XLogP3.23
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(4-bromophenyl)-5-ethylpyrazol-4-yl]methyl]cyclopropanamine
CID 66440971
N-[[1-(2-fluorophenyl)-5-propylpyrazol-4-yl]methyl]cyclopropanamine
CID 66441277
N-[[1-(4-methoxyphenyl)-5-propylpyrazol-4-yl]methyl]cyclopropanamine
CID 66440578
N-[[1-(3-chloro-4-methylphenyl)-5-propylpyrazol-4-yl]methyl]cyclopropanamine
CID 66440239
[1-(5-bromo-2-pyridinyl)-5-ethylpyrazol-4-yl]methanol
CID 66437696
N-[[1-(5-bromo-2-pyridinyl)-5-propan-2-ylpyrazol-4-yl]methyl]ethanamine
CID 66440209
N-[[1-(5-bromo-2-pyridinyl)-5-methylpyrazol-4-yl]methyl]propan-2-amine
CID 65347734
N-[[1-(5-bromo-2-pyridinyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-2-amine
CID 66440011
1-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-4-yl]-N-methylmethanamine
CID 66442611
4-[(cyclobutylamino)methyl]-1-ethylpyrazol-5-amine
CID 117216682
N-[(1-cyclopentyl-5-ethylpyrazol-4-yl)methyl]cyclopropanamine
CID 66441337
N-methyl-1-[1-(4-methyl-2-pyridinyl)-5-propylpyrazol-4-yl]methanamine
CID 66439553

Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-bromo-2-pyridinyl)-5-propylpyrazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(5-bromo-2-pyridinyl)-5-propylpyrazol-4-yl]methyl]cyclopropanamine (CID 66440205) is N-[[1-(5-bromo-2-pyridinyl)-5-propylpyrazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(5-bromo-2-pyridinyl)-5-propylpyrazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(5-bromo-2-pyridinyl)-5-propylpyrazol-4-yl]methyl]cyclopropanamine is CCCc1c(CNC2CC2)cnn1-c1ccc(Br)cn1.
What is the InChIKey of N-[[1-(5-bromo-2-pyridinyl)-5-propylpyrazol-4-yl]methyl]cyclopropanamine?
The InChIKey is KLIREMJPTIWWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4/c1-2-3-14-11(8-17-13-5-6-13)9-19-20(14)15-7-4-12(16)10-18-15/h4,7,9-10,13,17H,2-3,5-6,8H2,1H3.
What are the key properties of N-[[1-(5-bromo-2-pyridinyl)-5-propylpyrazol-4-yl]methyl]cyclopropanamine?
N-[[1-(5-bromo-2-pyridinyl)-5-propylpyrazol-4-yl]methyl]cyclopropanamine has a molecular weight of 335.25 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-bromo-2-pyridinyl)-5-propylpyrazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 66440205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).