2-[3,5-dimethyl-4-[(2R)-pyrrolidin-2-yl]pyrazol-1-yl]acetic acid

C11H17N3O2 — CID 99978642

IUPAC2-[3,5-dimethyl-4-[(2R)-pyrrolidin-2-yl]pyrazol-1-yl]acetic acid
SMILESCc1nn(CC(=O)O)c(C)c1[C@H]1CCCN1
InChIInChI=1S/C11H17N3O2/c1-7-11(9-4-3-5-12-9)8(2)14(13-7)6-10(15)16/h9,12H,3-6H2,1-2H3,(H,15,16)/t9-/m1/s1
InChIKeyPBNSBWYHRBNQFR-SECBINFHSA-N
MW223.28 g/mol
LogP1.01
Rot. Bonds3

About 2-[3,5-dimethyl-4-[(2R)-pyrrolidin-2-yl]pyrazol-1-yl]acetic acid

2-[3,5-dimethyl-4-[(2R)-pyrrolidin-2-yl]pyrazol-1-yl]acetic acid (PubChem CID 99978642) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-[3,5-dimethyl-4-[(2R)-pyrrolidin-2-yl]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3,5-dimethyl-4-[(2R)-pyrrolidin-2-yl]pyrazol-1-yl]acetic acid
PubChem CID99978642
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-[3,5-dimethyl-4-[(2R)-pyrrolidin-2-yl]pyrazol-1-yl]acetic acid
SMILESCc1nn(CC(=O)O)c(C)c1[C@H]1CCCN1
InChIInChI=1S/C11H17N3O2/c1-7-11(9-4-3-5-12-9)8(2)14(13-7)6-10(15)16/h9,12H,3-6H2,1-2H3,(H,15,16)/t9-/m1/s1
InChIKeyPBNSBWYHRBNQFR-SECBINFHSA-N
XLogP1.01
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-3,5-dimethyl-4-[(2R)-pyrrolidin-2-yl]pyrazole
CID 99978633
1,3,5-trimethyl-4-[(2R)-pyrrolidin-2-yl]pyrazole
CID 95566954
5-chloro-1,3-dimethyl-4-[(2S)-pyrrolidin-2-yl]pyrazole
CID 95970426
2-(5-methoxy-1,3-dimethylpyrazol-4-yl)piperidine
CID 131382411
2-[3,5-dimethyl-4-(2-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid
CID 43513488
5-ethoxycarbonyl-4-[(2S)-pyrrolidin-2-yl]-1H-pyrazole-3-carboxylic acid
CID 53468888
2-[(2S,4R)-3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetic acid
CID 748615
2-[4-(3-aminopiperidin-1-yl)sulfonyl-3,5-dimethylpyrazol-1-yl]acetic acid
CID 61403799
2-(5-methyl-4-pyrrolidin-2-yl-1,3-oxazol-2-yl)acetic acid
CID 115026802
2-hydroxy-4-methyl-3-[(2R)-pyrrolidin-2-yl]benzoic acid
CID 66519490
2-(3,5-dimethyl-4-prop-2-ynylpyrazol-1-yl)acetic acid
CID 167987589
2-[5-[(3S)-1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetyl]piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 126434624

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-4-[(2R)-pyrrolidin-2-yl]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[3,5-dimethyl-4-[(2R)-pyrrolidin-2-yl]pyrazol-1-yl]acetic acid (CID 99978642) is 2-[3,5-dimethyl-4-[(2R)-pyrrolidin-2-yl]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3,5-dimethyl-4-[(2R)-pyrrolidin-2-yl]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[3,5-dimethyl-4-[(2R)-pyrrolidin-2-yl]pyrazol-1-yl]acetic acid is Cc1nn(CC(=O)O)c(C)c1[C@H]1CCCN1.
What is the InChIKey of 2-[3,5-dimethyl-4-[(2R)-pyrrolidin-2-yl]pyrazol-1-yl]acetic acid?
The InChIKey is PBNSBWYHRBNQFR-SECBINFHSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-7-11(9-4-3-5-12-9)8(2)14(13-7)6-10(15)16/h9,12H,3-6H2,1-2H3,(H,15,16)/t9-/m1/s1.
What are the key properties of 2-[3,5-dimethyl-4-[(2R)-pyrrolidin-2-yl]pyrazol-1-yl]acetic acid?
2-[3,5-dimethyl-4-[(2R)-pyrrolidin-2-yl]pyrazol-1-yl]acetic acid has a molecular weight of 223.28 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-4-[(2R)-pyrrolidin-2-yl]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 99978642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).