1-[4-(difluoromethoxy)phenyl]-5-methyl-N-propyl-N-pyrrolidin-3-yltriazole-4-carboxamide;hydrochloride

C18H24ClF2N5O2 — CID 119532288

IUPAC1-[4-(difluoromethoxy)phenyl]-5-methyl-N-propyl-N-pyrrolidin-3-yltriazole-4-carboxamide;hydrochloride
SMILESCCCN(C(=O)c1nnn(-c2ccc(OC(F)F)cc2)c1C)C1CCNC1.Cl
InChIInChI=1S/C18H23F2N5O2.ClH/c1-3-10-24(14-8-9-21-11-14)17(26)16-12(2)25(23-22-16)13-4-6-15(7-5-13)27-18(19)20;/h4-7,14,18,21H,3,8-11H2,1-2H3;1H
InChIKeyKEPYRMVNRSQMNO-UHFFFAOYSA-N
MW415.87 g/mol
LogP2.81
Rot. Bonds7

About 1-[4-(difluoromethoxy)phenyl]-5-methyl-N-propyl-N-pyrrolidin-3-yltriazole-4-carboxamide;hydrochloride

1-[4-(difluoromethoxy)phenyl]-5-methyl-N-propyl-N-pyrrolidin-3-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119532288) has the molecular formula C18H24ClF2N5O2 and a molecular weight of 415.87 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-5-methyl-N-propyl-N-pyrrolidin-3-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-5-methyl-N-propyl-N-pyrrolidin-3-yltriazole-4-carboxamide;hydrochloride
PubChem CID119532288
Molecular FormulaC18H24ClF2N5O2
Molecular Weight415.87 g/mol
Exact Mass415.16
IUPAC Name1-[4-(difluoromethoxy)phenyl]-5-methyl-N-propyl-N-pyrrolidin-3-yltriazole-4-carboxamide;hydrochloride
SMILESCCCN(C(=O)c1nnn(-c2ccc(OC(F)F)cc2)c1C)C1CCNC1.Cl
InChIInChI=1S/C18H23F2N5O2.ClH/c1-3-10-24(14-8-9-21-11-14)17(26)16-12(2)25(23-22-16)13-4-6-15(7-5-13)27-18(19)20;/h4-7,14,18,21H,3,8-11H2,1-2H3;1H
InChIKeyKEPYRMVNRSQMNO-UHFFFAOYSA-N
XLogP2.81
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.87
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-1-(3-nitrophenyl)-N-propyl-N-pyrrolidin-3-yltriazole-4-carboxamide
CID 119532069
2-[[1-[4-(difluoromethoxy)phenyl]-5-methyltriazole-4-carbonyl]-propylamino]acetic acid
CID 119205070
[1-[4-(difluoromethoxy)phenyl]-5-methyltriazol-4-yl]-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472670
2-[[1-[4-(difluoromethoxy)phenyl]-5-methyltriazole-4-carbonyl]-methylamino]acetic acid
CID 119172030
N-(1-aminopropan-2-yl)-1-[4-(difluoromethoxy)phenyl]-N,5-dimethyltriazole-4-carboxamide
CID 119584203
1,4-diazepan-1-yl-[1-[4-(difluoromethoxy)phenyl]-5-methyltriazol-4-yl]methanone
CID 119417545
1-(4-methylphenyl)-N-propyl-N-pyrrolidin-3-yltriazole-4-carboxamide;hydrochloride
CID 119530408
1-[4-(difluoromethoxy)phenyl]-5-methyl-N-[2-(methylamino)ethyl]triazole-4-carboxamide;hydrochloride
CID 119503210
1-[4-(difluoromethoxy)phenyl]-N,5-dimethyl-N-phenyltriazole-4-carboxamide
CID 16654306
3-[4-(difluoromethoxy)phenyl]-N-piperidin-4-yl-N-propylpropanamide
CID 119825341
5-[4-(difluoromethoxy)phenyl]-N-piperidin-4-yl-N-propylthiophene-2-carboxamide;hydrochloride
CID 119825454
N-(3-amino-2,2-dimethylpropyl)-1-[4-(difluoromethoxy)phenyl]-N,5-dimethyltriazole-4-carboxamide;hydrochloride
CID 119655867

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-5-methyl-N-propyl-N-pyrrolidin-3-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-5-methyl-N-propyl-N-pyrrolidin-3-yltriazole-4-carboxamide;hydrochloride (CID 119532288) is 1-[4-(difluoromethoxy)phenyl]-5-methyl-N-propyl-N-pyrrolidin-3-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-5-methyl-N-propyl-N-pyrrolidin-3-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-5-methyl-N-propyl-N-pyrrolidin-3-yltriazole-4-carboxamide;hydrochloride is CCCN(C(=O)c1nnn(-c2ccc(OC(F)F)cc2)c1C)C1CCNC1.Cl.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-5-methyl-N-propyl-N-pyrrolidin-3-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is KEPYRMVNRSQMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2N5O2.ClH/c1-3-10-24(14-8-9-21-11-14)17(26)16-12(2)25(23-22-16)13-4-6-15(7-5-13)27-18(19)20;/h4-7,14,18,21H,3,8-11H2,1-2H3;1H.
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-5-methyl-N-propyl-N-pyrrolidin-3-yltriazole-4-carboxamide;hydrochloride?
1-[4-(difluoromethoxy)phenyl]-5-methyl-N-propyl-N-pyrrolidin-3-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 415.87 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-5-methyl-N-propyl-N-pyrrolidin-3-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119532288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).