1-[2-(diethylamino)-2-oxoethyl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]triazole-4-carboxamide

C17H27N7O2 — CID 42289904

IUPAC1-[2-(diethylamino)-2-oxoethyl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]triazole-4-carboxamide
SMILESCCCc1cc(CN(C)C(=O)c2cn(CC(=O)N(CC)CC)nn2)[nH]n1
InChIInChI=1S/C17H27N7O2/c1-5-8-13-9-14(19-18-13)10-22(4)17(26)15-11-24(21-20-15)12-16(25)23(6-2)7-3/h9,11H,5-8,10,12H2,1-4H3,(H,18,19)
InChIKeyDVIIDJFSRMAFRQ-UHFFFAOYSA-N
MW361.45 g/mol
LogP1.09
Rot. Bonds9

About 1-[2-(diethylamino)-2-oxoethyl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]triazole-4-carboxamide

1-[2-(diethylamino)-2-oxoethyl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]triazole-4-carboxamide (PubChem CID 42289904) has the molecular formula C17H27N7O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 1-[2-(diethylamino)-2-oxoethyl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-[2-(diethylamino)-2-oxoethyl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]triazole-4-carboxamide
PubChem CID42289904
Molecular FormulaC17H27N7O2
Molecular Weight361.45 g/mol
Exact Mass361.22
IUPAC Name1-[2-(diethylamino)-2-oxoethyl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]triazole-4-carboxamide
SMILESCCCc1cc(CN(C)C(=O)c2cn(CC(=O)N(CC)CC)nn2)[nH]n1
InChIInChI=1S/C17H27N7O2/c1-5-8-13-9-14(19-18-13)10-22(4)17(26)15-11-24(21-20-15)12-16(25)23(6-2)7-3/h9,11H,5-8,10,12H2,1-4H3,(H,18,19)
InChIKeyDVIIDJFSRMAFRQ-UHFFFAOYSA-N
XLogP1.09
TPSA100.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

US10022354, Example 37
CID 121279685
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide
CID 70755345
N-[(5-cyclopropyl-1H-pyrazol-3-yl)methyl]-N-methyl-2-(1H-pyrazol-1-yl)butanamide
CID 72894076
N-[(5-cyclopropyl-1H-pyrazol-3-yl)methyl]-N,5-dimethyl-1-propyl-1H-pyrazole-4-carboxamide
CID 72940539
(1-methylpyrazol-3-yl)-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 110269349
Sdccgsbi-0117403.P001
CID 26412973
1-(cyclohexylmethyl)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyltriazole-4-carboxamide
CID 42197338
1-(cis-4-aminocyclohexyl)-N-[1-methyl-2-(3-methyl-1H-pyrazol-5-yl)ethyl]-1H-1,2,3-triazole-4-carboxamide
CID 70714245
[4-[2-(3,5-Dimethylpyrazol-1-yl)ethyl]-1,4-diazepan-1-yl]-(1-methyltriazol-4-yl)methanone
CID 71790602
N-ethyl-3-methyl-N-[2-(1H-pyrazol-1-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 56865921
N-[2-(1-methylpyrazol-3-yl)ethyl]-1,2,5-thiadiazole-3-carboxamide
CID 75456921
5-(2-methylpropyl)-N-[2-(4-methyltriazol-1-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 91839647

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)-2-oxoethyl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]triazole-4-carboxamide?
The IUPAC name of 1-[2-(diethylamino)-2-oxoethyl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]triazole-4-carboxamide (CID 42289904) is 1-[2-(diethylamino)-2-oxoethyl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]triazole-4-carboxamide.
What is the SMILES notation for 1-[2-(diethylamino)-2-oxoethyl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]triazole-4-carboxamide?
The canonical SMILES for 1-[2-(diethylamino)-2-oxoethyl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]triazole-4-carboxamide is CCCc1cc(CN(C)C(=O)c2cn(CC(=O)N(CC)CC)nn2)[nH]n1.
What is the InChIKey of 1-[2-(diethylamino)-2-oxoethyl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]triazole-4-carboxamide?
The InChIKey is DVIIDJFSRMAFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N7O2/c1-5-8-13-9-14(19-18-13)10-22(4)17(26)15-11-24(21-20-15)12-16(25)23(6-2)7-3/h9,11H,5-8,10,12H2,1-4H3,(H,18,19).
What are the key properties of 1-[2-(diethylamino)-2-oxoethyl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]triazole-4-carboxamide?
1-[2-(diethylamino)-2-oxoethyl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]triazole-4-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 1.09, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)-2-oxoethyl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 42289904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).