4-bromo-3-methyl-1-(quinolin-4-ylmethyl)pyrazol-5-amine

C14H13BrN4 — CID 63867039

IUPAC4-bromo-3-methyl-1-(quinolin-4-ylmethyl)pyrazol-5-amine
SMILESCc1nn(Cc2ccnc3ccccc23)c(N)c1Br
InChIInChI=1S/C14H13BrN4/c1-9-13(15)14(16)19(18-9)8-10-6-7-17-12-5-3-2-4-11(10)12/h2-7H,8,16H2,1H3
InChIKeyJISQODNLWQPRFQ-UHFFFAOYSA-N
MW317.19 g/mol
LogP3.13
Rot. Bonds2

About 4-bromo-3-methyl-1-(quinolin-4-ylmethyl)pyrazol-5-amine

4-bromo-3-methyl-1-(quinolin-4-ylmethyl)pyrazol-5-amine (PubChem CID 63867039) has the molecular formula C14H13BrN4 and a molecular weight of 317.19 g/mol. Its IUPAC name is 4-bromo-3-methyl-1-(quinolin-4-ylmethyl)pyrazol-5-amine.

Molecular Properties

Compound Name4-bromo-3-methyl-1-(quinolin-4-ylmethyl)pyrazol-5-amine
PubChem CID63867039
Molecular FormulaC14H13BrN4
Molecular Weight317.19 g/mol
Exact Mass316.03
IUPAC Name4-bromo-3-methyl-1-(quinolin-4-ylmethyl)pyrazol-5-amine
SMILESCc1nn(Cc2ccnc3ccccc23)c(N)c1Br
InChIInChI=1S/C14H13BrN4/c1-9-13(15)14(16)19(18-9)8-10-6-7-17-12-5-3-2-4-11(10)12/h2-7H,8,16H2,1H3
InChIKeyJISQODNLWQPRFQ-UHFFFAOYSA-N
XLogP3.13
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.19
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-benzofuran-3-ylmethyl)-4-bromo-3-methylpyrazol-5-amine
CID 80701765
4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-2-methylquinoline
CID 79032417
3-amino-1-(quinolin-4-ylmethyl)pyridin-2-one
CID 79235393
4-(pyrrol-1-ylmethyl)quinoline
CID 79240222
5-methyl-2-(quinolin-4-ylmethyl)aniline
CID 82766689
4-bromo-1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-methylpyrazol-5-amine
CID 64509273
6-(4-bromo-3,5-dimethylpyrazol-1-yl)quinolin-5-amine
CID 62129377
argon;4-methylquinoline
CID 175059803
4-(4-ethyl-3-methylpyrazol-1-yl)quinoline
CID 139907310
1-[1-(quinolin-4-ylmethyl)pyrrol-3-yl]propan-2-amine
CID 79240540
2-methyl-4-(quinolin-4-ylmethoxy)aniline
CID 79234978
(1S)-1-(2-bromophenyl)-N-(quinolin-4-ylmethyl)ethanamine
CID 81378788

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methyl-1-(quinolin-4-ylmethyl)pyrazol-5-amine?
The IUPAC name of 4-bromo-3-methyl-1-(quinolin-4-ylmethyl)pyrazol-5-amine (CID 63867039) is 4-bromo-3-methyl-1-(quinolin-4-ylmethyl)pyrazol-5-amine.
What is the SMILES notation for 4-bromo-3-methyl-1-(quinolin-4-ylmethyl)pyrazol-5-amine?
The canonical SMILES for 4-bromo-3-methyl-1-(quinolin-4-ylmethyl)pyrazol-5-amine is Cc1nn(Cc2ccnc3ccccc23)c(N)c1Br.
What is the InChIKey of 4-bromo-3-methyl-1-(quinolin-4-ylmethyl)pyrazol-5-amine?
The InChIKey is JISQODNLWQPRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4/c1-9-13(15)14(16)19(18-9)8-10-6-7-17-12-5-3-2-4-11(10)12/h2-7H,8,16H2,1H3.
What are the key properties of 4-bromo-3-methyl-1-(quinolin-4-ylmethyl)pyrazol-5-amine?
4-bromo-3-methyl-1-(quinolin-4-ylmethyl)pyrazol-5-amine has a molecular weight of 317.19 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-methyl-1-(quinolin-4-ylmethyl)pyrazol-5-amine is sourced from PubChem (CID 63867039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).