1-ethyl-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide

C13H19N5O — CID 19477840

IUPAC1-ethyl-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)N(C)Cc2cnn(C)c2)c(C)n1
InChIInChI=1S/C13H19N5O/c1-5-18-9-12(10(2)15-18)13(19)16(3)7-11-6-14-17(4)8-11/h6,8-9H,5,7H2,1-4H3
InChIKeyBJQUHRBBRUQNQJ-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.22
Rot. Bonds4

About 1-ethyl-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide

1-ethyl-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide (PubChem CID 19477840) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 1-ethyl-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
PubChem CID19477840
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name1-ethyl-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)N(C)Cc2cnn(C)c2)c(C)n1
InChIInChI=1S/C13H19N5O/c1-5-18-9-12(10(2)15-18)13(19)16(3)7-11-6-14-17(4)8-11/h6,8-9H,5,7H2,1-4H3
InChIKeyBJQUHRBBRUQNQJ-UHFFFAOYSA-N
XLogP1.22
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]-N,3-dimethylpyrazole-4-carboxamide
CID 19477847
2-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 60715430
1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 60703151
N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-oxopyridine-3-carboxamide
CID 146086977
4-(ethylamino)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 81240912
4-bromo-N-[(1-ethylpyrazol-4-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 17020519
N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 31852382
4-hydrazinyl-N,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 81255580
3,5-dichloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 31843005
3,5-diamino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 61139345
5-amino-2,3-dichloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 107184567
2-amino-4-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 63110187

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide (CID 19477840) is 1-ethyl-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide is CCn1cc(C(=O)N(C)Cc2cnn(C)c2)c(C)n1.
What is the InChIKey of 1-ethyl-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide?
The InChIKey is BJQUHRBBRUQNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-5-18-9-12(10(2)15-18)13(19)16(3)7-11-6-14-17(4)8-11/h6,8-9H,5,7H2,1-4H3.
What are the key properties of 1-ethyl-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide?
1-ethyl-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 261.33 g/mol, XLogP of 1.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 19477840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).