4-bromo-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-methoxy-1-methylpyrazole-3-carboxamide

C13H19BrN6O2 — CID 95744361

IUPAC4-bromo-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-methoxy-1-methylpyrazole-3-carboxamide
SMILESCOc1c(Br)c(C(=O)Nc2cnn(CCN(C)C)c2)nn1C
InChIInChI=1S/C13H19BrN6O2/c1-18(2)5-6-20-8-9(7-15-20)16-12(21)11-10(14)13(22-4)19(3)17-11/h7-8H,5-6H2,1-4H3,(H,16,21)
InChIKeyNOWKBBVRXXVYDO-UHFFFAOYSA-N
MW371.24 g/mol
LogP1.20
Rot. Bonds6

About 4-bromo-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-methoxy-1-methylpyrazole-3-carboxamide

4-bromo-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-methoxy-1-methylpyrazole-3-carboxamide (PubChem CID 95744361) has the molecular formula C13H19BrN6O2 and a molecular weight of 371.24 g/mol. Its IUPAC name is 4-bromo-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-methoxy-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-methoxy-1-methylpyrazole-3-carboxamide
PubChem CID95744361
Molecular FormulaC13H19BrN6O2
Molecular Weight371.24 g/mol
Exact Mass370.08
IUPAC Name4-bromo-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-methoxy-1-methylpyrazole-3-carboxamide
SMILESCOc1c(Br)c(C(=O)Nc2cnn(CCN(C)C)c2)nn1C
InChIInChI=1S/C13H19BrN6O2/c1-18(2)5-6-20-8-9(7-15-20)16-12(21)11-10(14)13(22-4)19(3)17-11/h7-8H,5-6H2,1-4H3,(H,16,21)
InChIKeyNOWKBBVRXXVYDO-UHFFFAOYSA-N
XLogP1.20
TPSA77.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.24
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-methylpyrazole-3-carboxamide
CID 95744231
3-tert-butyl-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1-methylpyrazole-5-carboxamide
CID 95744342
4-bromo-N-[1-(ethoxymethyl)pyrazol-4-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 19266362
4-bromo-N-[3-(dimethylamino)-2-hydroxypropyl]-5-methoxy-1-methylpyrazole-3-carboxamide
CID 110281349
8-bromo-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]naphthalene-1-carboxamide
CID 167831048
3,4-dichloro-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]benzamide
CID 49088730
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3,4-difluorobenzamide
CID 49092977
4-bromo-N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 19266332
2,4-dichloro-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]benzamide
CID 49088727
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-hydroxy-2-phenylacetamide
CID 111432605
2-(dimethylamino)-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-6-methylpyrimidine-4-carboxamide
CID 95744392
1-(5-bromo-2-propan-2-yloxy-3-pyridinyl)-3-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]urea
CID 166210019

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-methoxy-1-methylpyrazole-3-carboxamide?
The IUPAC name of 4-bromo-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-methoxy-1-methylpyrazole-3-carboxamide (CID 95744361) is 4-bromo-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-methoxy-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-methoxy-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-methoxy-1-methylpyrazole-3-carboxamide is COc1c(Br)c(C(=O)Nc2cnn(CCN(C)C)c2)nn1C.
What is the InChIKey of 4-bromo-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-methoxy-1-methylpyrazole-3-carboxamide?
The InChIKey is NOWKBBVRXXVYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN6O2/c1-18(2)5-6-20-8-9(7-15-20)16-12(21)11-10(14)13(22-4)19(3)17-11/h7-8H,5-6H2,1-4H3,(H,16,21).
What are the key properties of 4-bromo-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-methoxy-1-methylpyrazole-3-carboxamide?
4-bromo-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-methoxy-1-methylpyrazole-3-carboxamide has a molecular weight of 371.24 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-methoxy-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 95744361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).