N-[[1-(5-bromo-2-pyridinyl)-5-propan-2-ylpyrazol-4-yl]methyl]ethanamine

C14H19BrN4 — CID 66440209

IUPACN-[[1-(5-bromo-2-pyridinyl)-5-propan-2-ylpyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1cnn(-c2ccc(Br)cn2)c1C(C)C
InChIInChI=1S/C14H19BrN4/c1-4-16-7-11-8-18-19(14(11)10(2)3)13-6-5-12(15)9-17-13/h5-6,8-10,16H,4,7H2,1-3H3
InChIKeyFASVXICDHIPXCX-UHFFFAOYSA-N
MW323.24 g/mol
LogP3.26
Rot. Bonds5

About N-[[1-(5-bromo-2-pyridinyl)-5-propan-2-ylpyrazol-4-yl]methyl]ethanamine

N-[[1-(5-bromo-2-pyridinyl)-5-propan-2-ylpyrazol-4-yl]methyl]ethanamine (PubChem CID 66440209) has the molecular formula C14H19BrN4 and a molecular weight of 323.24 g/mol. Its IUPAC name is N-[[1-(5-bromo-2-pyridinyl)-5-propan-2-ylpyrazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(5-bromo-2-pyridinyl)-5-propan-2-ylpyrazol-4-yl]methyl]ethanamine
PubChem CID66440209
Molecular FormulaC14H19BrN4
Molecular Weight323.24 g/mol
Exact Mass322.08
IUPAC NameN-[[1-(5-bromo-2-pyridinyl)-5-propan-2-ylpyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1cnn(-c2ccc(Br)cn2)c1C(C)C
InChIInChI=1S/C14H19BrN4/c1-4-16-7-11-8-18-19(14(11)10(2)3)13-6-5-12(15)9-17-13/h5-6,8-10,16H,4,7H2,1-3H3
InChIKeyFASVXICDHIPXCX-UHFFFAOYSA-N
XLogP3.26
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.24
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(5-bromo-2-pyridinyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-2-amine
CID 66440011
[1-(5-bromo-2-pyridinyl)-5-propan-2-ylpyrazol-4-yl]methanol
CID 66437474
N-[[1-(5-bromo-2-pyridinyl)-5-methylpyrazol-4-yl]methyl]propan-2-amine
CID 65347734
N-[[1-(2-methylphenyl)-5-propan-2-ylpyrazol-4-yl]methyl]ethanamine
CID 66442086
[1-(5-bromo-2-pyridinyl)-5-ethylpyrazol-4-yl]methanol
CID 66437696
1-[1-(4-bromophenyl)-5-propan-2-ylpyrazol-4-yl]-N-methylmethanamine
CID 66441573
N-[[1-(5-bromo-2-pyridinyl)-5-methylpyrazol-4-yl]methyl]-2-methoxyethanamine
CID 66442415
N-[[1-[(2-bromophenyl)methyl]-5-propan-2-ylpyrazol-4-yl]methyl]ethanamine
CID 66439602
N-[[1-(5-bromo-2-pyridinyl)-5-propylpyrazol-4-yl]methyl]cyclopropanamine
CID 66440205
N-[[1-(2-bromophenyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-1-amine
CID 66441924
1-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-4-yl]-N-methylmethanamine
CID 66442611
4-(bromomethyl)-1-(4-bromophenyl)-5-propan-2-ylpyrazole
CID 66436646

Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-bromo-2-pyridinyl)-5-propan-2-ylpyrazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(5-bromo-2-pyridinyl)-5-propan-2-ylpyrazol-4-yl]methyl]ethanamine (CID 66440209) is N-[[1-(5-bromo-2-pyridinyl)-5-propan-2-ylpyrazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(5-bromo-2-pyridinyl)-5-propan-2-ylpyrazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(5-bromo-2-pyridinyl)-5-propan-2-ylpyrazol-4-yl]methyl]ethanamine is CCNCc1cnn(-c2ccc(Br)cn2)c1C(C)C.
What is the InChIKey of N-[[1-(5-bromo-2-pyridinyl)-5-propan-2-ylpyrazol-4-yl]methyl]ethanamine?
The InChIKey is FASVXICDHIPXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN4/c1-4-16-7-11-8-18-19(14(11)10(2)3)13-6-5-12(15)9-17-13/h5-6,8-10,16H,4,7H2,1-3H3.
What are the key properties of N-[[1-(5-bromo-2-pyridinyl)-5-propan-2-ylpyrazol-4-yl]methyl]ethanamine?
N-[[1-(5-bromo-2-pyridinyl)-5-propan-2-ylpyrazol-4-yl]methyl]ethanamine has a molecular weight of 323.24 g/mol, XLogP of 3.26, 5 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-propan-2-ylpyrazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 66440209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).