5-pyrrolidin-1-yl-1H-pyrazole-4-carboxylic acid

C8H11N3O2 — CID 83618694

IUPAC5-pyrrolidin-1-yl-1H-pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn[nH]c1N1CCCC1
InChIInChI=1S/C8H11N3O2/c12-8(13)6-5-9-10-7(6)11-3-1-2-4-11/h5H,1-4H2,(H,9,10)(H,12,13)
InChIKeyFYDQVWZKWRSEJN-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.71
Rot. Bonds2

About 5-pyrrolidin-1-yl-1H-pyrazole-4-carboxylic acid

5-pyrrolidin-1-yl-1H-pyrazole-4-carboxylic acid (PubChem CID 83618694) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 5-pyrrolidin-1-yl-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-pyrrolidin-1-yl-1H-pyrazole-4-carboxylic acid
PubChem CID83618694
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name5-pyrrolidin-1-yl-1H-pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn[nH]c1N1CCCC1
InChIInChI=1S/C8H11N3O2/c12-8(13)6-5-9-10-7(6)11-3-1-2-4-11/h5H,1-4H2,(H,9,10)(H,12,13)
InChIKeyFYDQVWZKWRSEJN-UHFFFAOYSA-N
XLogP0.71
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1H-1,2,3,4-tetrazol-1-yl)-1H-pyrazole-4-carboxylic acid
CID 645797
5-[(3,3,3-trifluoro-2,2-dimethylpropyl)amino]-1H-pyrazole-4-carboxylic acid
CID 166703184
3-(trifluoroacetamido)-1H-pyrazole-4-carboxylic acid
CID 110481235
5-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-1H-pyrazole-4-carboxylic acid
CID 168715122
5-(methylamino)-1H-pyrazole-4-carboxylic acid
CID 20699534
5-(3-methyl-2,5-dioxopyrrol-1-yl)-1H-pyrazole-4-carboxylic acid
CID 22416669
5-(tert-butylamino)-1H-pyrazole-4-carboxylic acid
CID 59035461
5-[amino(pentyl)amino]-1H-pyrazole-4-carboxylic acid
CID 67823359
5-(ethylamino)-1H-pyrazole-4-carboxylic acid
CID 68024574
5-(1-butylpyrazol-1-ium-1-yl)-1H-pyrazole-4-carboxylic acid
CID 69159842
5-Amino-1-butylpyrazole-4-carboxylic acid
CID 79007098
3-(dimethylamino)-1H-pyrazole-4-carboxylic acid
CID 83618745

Frequently Asked Questions

What is the IUPAC name of 5-pyrrolidin-1-yl-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-pyrrolidin-1-yl-1H-pyrazole-4-carboxylic acid (CID 83618694) is 5-pyrrolidin-1-yl-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-pyrrolidin-1-yl-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-pyrrolidin-1-yl-1H-pyrazole-4-carboxylic acid is O=C(O)c1cn[nH]c1N1CCCC1.
What is the InChIKey of 5-pyrrolidin-1-yl-1H-pyrazole-4-carboxylic acid?
The InChIKey is FYDQVWZKWRSEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c12-8(13)6-5-9-10-7(6)11-3-1-2-4-11/h5H,1-4H2,(H,9,10)(H,12,13).
What are the key properties of 5-pyrrolidin-1-yl-1H-pyrazole-4-carboxylic acid?
5-pyrrolidin-1-yl-1H-pyrazole-4-carboxylic acid has a molecular weight of 181.19 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrrolidin-1-yl-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 83618694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).