N-[(4-bromo-1-propylpyrazol-5-yl)-(3-chloro-2-pyridinyl)methyl]propan-1-amine

C15H20BrClN4 — CID 103444915

IUPACN-[(4-bromo-1-propylpyrazol-5-yl)-(3-chloro-2-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1ncccc1Cl)c1c(Br)cnn1CCC
InChIInChI=1S/C15H20BrClN4/c1-3-7-18-14(13-12(17)6-5-8-19-13)15-11(16)10-20-21(15)9-4-2/h5-6,8,10,14,18H,3-4,7,9H2,1-2H3
InChIKeyOAMWJLYMVOALOI-UHFFFAOYSA-N
MW371.71 g/mol
LogP4.19
Rot. Bonds7

About N-[(4-bromo-1-propylpyrazol-5-yl)-(3-chloro-2-pyridinyl)methyl]propan-1-amine

N-[(4-bromo-1-propylpyrazol-5-yl)-(3-chloro-2-pyridinyl)methyl]propan-1-amine (PubChem CID 103444915) has the molecular formula C15H20BrClN4 and a molecular weight of 371.71 g/mol. Its IUPAC name is N-[(4-bromo-1-propylpyrazol-5-yl)-(3-chloro-2-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-bromo-1-propylpyrazol-5-yl)-(3-chloro-2-pyridinyl)methyl]propan-1-amine
PubChem CID103444915
Molecular FormulaC15H20BrClN4
Molecular Weight371.71 g/mol
Exact Mass370.06
IUPAC NameN-[(4-bromo-1-propylpyrazol-5-yl)-(3-chloro-2-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1ncccc1Cl)c1c(Br)cnn1CCC
InChIInChI=1S/C15H20BrClN4/c1-3-7-18-14(13-12(17)6-5-8-19-13)15-11(16)10-20-21(15)9-4-2/h5-6,8,10,14,18H,3-4,7,9H2,1-2H3
InChIKeyOAMWJLYMVOALOI-UHFFFAOYSA-N
XLogP4.19
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.71
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chloro-1-propylpyrazol-5-yl)-(3-chloro-2-pyridinyl)methyl]propan-1-amine
CID 103444702
N-[(4-bromo-1-ethylpyrazol-5-yl)-(3-ethyl-2-pyridinyl)methyl]propan-1-amine
CID 114660062
[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-chloro-2-pyridinyl)methyl]hydrazine
CID 103445650
1-(3-bromo-2-pyridinyl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 114660548
N-[(2-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]propan-1-amine
CID 114649324
N-[(5-bromofuran-2-yl)-(4-bromo-1-propylpyrazol-5-yl)methyl]propan-1-amine
CID 105041198
N-[1-(4-bromo-1-propylpyrazol-5-yl)ethyl]propan-1-amine
CID 114647831
N-[(3-bromofuran-2-yl)-(3-chloro-2-pyridinyl)methyl]propan-1-amine
CID 103444901
N-[(4-bromo-1-propylpyrazol-5-yl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 114654562
N-[(4-bromo-1-propylpyrazol-5-yl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine
CID 105183476
N-[(3-chloro-2-pyridinyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 103444898
N-[(4-bromo-1-propylpyrazol-5-yl)-(thiadiazol-5-yl)methyl]propan-1-amine
CID 105183524

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1-propylpyrazol-5-yl)-(3-chloro-2-pyridinyl)methyl]propan-1-amine?
The IUPAC name of N-[(4-bromo-1-propylpyrazol-5-yl)-(3-chloro-2-pyridinyl)methyl]propan-1-amine (CID 103444915) is N-[(4-bromo-1-propylpyrazol-5-yl)-(3-chloro-2-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-bromo-1-propylpyrazol-5-yl)-(3-chloro-2-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-bromo-1-propylpyrazol-5-yl)-(3-chloro-2-pyridinyl)methyl]propan-1-amine is CCCNC(c1ncccc1Cl)c1c(Br)cnn1CCC.
What is the InChIKey of N-[(4-bromo-1-propylpyrazol-5-yl)-(3-chloro-2-pyridinyl)methyl]propan-1-amine?
The InChIKey is OAMWJLYMVOALOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrClN4/c1-3-7-18-14(13-12(17)6-5-8-19-13)15-11(16)10-20-21(15)9-4-2/h5-6,8,10,14,18H,3-4,7,9H2,1-2H3.
What are the key properties of N-[(4-bromo-1-propylpyrazol-5-yl)-(3-chloro-2-pyridinyl)methyl]propan-1-amine?
N-[(4-bromo-1-propylpyrazol-5-yl)-(3-chloro-2-pyridinyl)methyl]propan-1-amine has a molecular weight of 371.71 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-1-propylpyrazol-5-yl)-(3-chloro-2-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 103444915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).