1,3-dimethyl-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrazole-4-carboxylic acid

C14H22N4O2 — CID 63170699

IUPAC1,3-dimethyl-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrazole-4-carboxylic acid
SMILESCc1nn(C)c(N2CCC(N3CCCC3)C2)c1C(=O)O
InChIInChI=1S/C14H22N4O2/c1-10-12(14(19)20)13(16(2)15-10)18-8-5-11(9-18)17-6-3-4-7-17/h11H,3-9H2,1-2H3,(H,19,20)
InChIKeyRQMUJZJAXCPWSP-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.10
Rot. Bonds3

About 1,3-dimethyl-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrazole-4-carboxylic acid

1,3-dimethyl-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrazole-4-carboxylic acid (PubChem CID 63170699) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 1,3-dimethyl-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1,3-dimethyl-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrazole-4-carboxylic acid
PubChem CID63170699
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name1,3-dimethyl-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrazole-4-carboxylic acid
SMILESCc1nn(C)c(N2CCC(N3CCCC3)C2)c1C(=O)O
InChIInChI=1S/C14H22N4O2/c1-10-12(14(19)20)13(16(2)15-10)18-8-5-11(9-18)17-6-3-4-7-17/h11H,3-9H2,1-2H3,(H,19,20)
InChIKeyRQMUJZJAXCPWSP-UHFFFAOYSA-N
XLogP1.10
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-1,3-dimethylpyrazole-4-carboximidamide
CID 63752216
1-[1-[4-(bromomethyl)-1,3-dimethylpyrazol-5-yl]pyrrolidin-3-yl]piperidine
CID 107083333
5-(3-ethylpiperidin-1-yl)-1,3-dimethylpyrazole-4-carboxylic acid
CID 43584669
5-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
CID 76952249
1,3-dimethyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)pyrazole-4-carbothioamide
CID 63757257
1-(4-carbamoyl-1,3-dimethylpyrazol-5-yl)piperidine-3-carboxylic acid
CID 63756447
ethyl 5-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-bromo-1-methylpyrazole-4-carboxylate
CID 140700864
5-(3-azaspiro[5.5]undecan-3-yl)-1,3-dimethylpyrazole-4-carboxylic acid
CID 62936896
[1,3-dimethyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)pyrazol-4-yl]methanamine
CID 63171037
1-(4-carbamothioyl-1,3-dimethylpyrazol-5-yl)-N-methylpiperidine-3-carboxamide
CID 103195947
1-[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 79943900
(4-amino-1,3-dimethylpyrazol-5-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 66124763

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrazole-4-carboxylic acid?
The IUPAC name of 1,3-dimethyl-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrazole-4-carboxylic acid (CID 63170699) is 1,3-dimethyl-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 1,3-dimethyl-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrazole-4-carboxylic acid?
The canonical SMILES for 1,3-dimethyl-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrazole-4-carboxylic acid is Cc1nn(C)c(N2CCC(N3CCCC3)C2)c1C(=O)O.
What is the InChIKey of 1,3-dimethyl-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrazole-4-carboxylic acid?
The InChIKey is RQMUJZJAXCPWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-10-12(14(19)20)13(16(2)15-10)18-8-5-11(9-18)17-6-3-4-7-17/h11H,3-9H2,1-2H3,(H,19,20).
What are the key properties of 1,3-dimethyl-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrazole-4-carboxylic acid?
1,3-dimethyl-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrazole-4-carboxylic acid has a molecular weight of 278.36 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 63170699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).