3-(4-bromo-5-methylpyrazol-1-yl)-N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methylpropanamide

C14H19BrClN5O — CID 4777282

IUPAC3-(4-bromo-5-methylpyrazol-1-yl)-N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methylpropanamide
SMILESCCn1ncc(Cl)c1CN(C)C(=O)CCn1ncc(Br)c1C
InChIInChI=1S/C14H19BrClN5O/c1-4-20-13(12(16)8-18-20)9-19(3)14(22)5-6-21-10(2)11(15)7-17-21/h7-8H,4-6,9H2,1-3H3
InChIKeyHHQAKCBDNWGNDU-UHFFFAOYSA-N
MW388.70 g/mol
LogP2.87
Rot. Bonds6

About 3-(4-bromo-5-methylpyrazol-1-yl)-N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methylpropanamide

3-(4-bromo-5-methylpyrazol-1-yl)-N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methylpropanamide (PubChem CID 4777282) has the molecular formula C14H19BrClN5O and a molecular weight of 388.70 g/mol. Its IUPAC name is 3-(4-bromo-5-methylpyrazol-1-yl)-N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-(4-bromo-5-methylpyrazol-1-yl)-N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methylpropanamide
PubChem CID4777282
Molecular FormulaC14H19BrClN5O
Molecular Weight388.70 g/mol
Exact Mass387.05
IUPAC Name3-(4-bromo-5-methylpyrazol-1-yl)-N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methylpropanamide
SMILESCCn1ncc(Cl)c1CN(C)C(=O)CCn1ncc(Br)c1C
InChIInChI=1S/C14H19BrClN5O/c1-4-20-13(12(16)8-18-20)9-19(3)14(22)5-6-21-10(2)11(15)7-17-21/h7-8H,4-6,9H2,1-3H3
InChIKeyHHQAKCBDNWGNDU-UHFFFAOYSA-N
XLogP2.87
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.70
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-5-methylpyrazol-1-yl)-N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methylpropanamide?
The IUPAC name of 3-(4-bromo-5-methylpyrazol-1-yl)-N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methylpropanamide (CID 4777282) is 3-(4-bromo-5-methylpyrazol-1-yl)-N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methylpropanamide.
What is the SMILES notation for 3-(4-bromo-5-methylpyrazol-1-yl)-N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methylpropanamide?
The canonical SMILES for 3-(4-bromo-5-methylpyrazol-1-yl)-N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methylpropanamide is CCn1ncc(Cl)c1CN(C)C(=O)CCn1ncc(Br)c1C.
What is the InChIKey of 3-(4-bromo-5-methylpyrazol-1-yl)-N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methylpropanamide?
The InChIKey is HHQAKCBDNWGNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClN5O/c1-4-20-13(12(16)8-18-20)9-19(3)14(22)5-6-21-10(2)11(15)7-17-21/h7-8H,4-6,9H2,1-3H3.
What are the key properties of 3-(4-bromo-5-methylpyrazol-1-yl)-N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methylpropanamide?
3-(4-bromo-5-methylpyrazol-1-yl)-N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methylpropanamide has a molecular weight of 388.70 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-5-methylpyrazol-1-yl)-N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methylpropanamide is sourced from PubChem (CID 4777282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).