1-methyl-3-[(2R)-pyrrolidin-2-yl]pyrazol-5-amine;2-phenylacetic acid

C16H22N4O2 — CID 89482782

IUPAC1-methyl-3-[(2R)-pyrrolidin-2-yl]pyrazol-5-amine;2-phenylacetic acid
SMILESCn1nc([C@H]2CCCN2)cc1N.O=C(O)Cc1ccccc1
InChIInChI=1S/C8H14N4.C8H8O2/c1-12-8(9)5-7(11-12)6-3-2-4-10-6;9-8(10)6-7-4-2-1-3-5-7/h5-6,10H,2-4,9H2,1H3;1-5H,6H2,(H,9,10)/t6-;/m1./s1
InChIKeyKWBGVWJMHVRCAG-FYZOBXCZSA-N
MW302.38 g/mol
LogP1.74
Rot. Bonds3

About 1-methyl-3-[(2R)-pyrrolidin-2-yl]pyrazol-5-amine;2-phenylacetic acid

1-methyl-3-[(2R)-pyrrolidin-2-yl]pyrazol-5-amine;2-phenylacetic acid (PubChem CID 89482782) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-methyl-3-[(2R)-pyrrolidin-2-yl]pyrazol-5-amine;2-phenylacetic acid.

Molecular Properties

Compound Name1-methyl-3-[(2R)-pyrrolidin-2-yl]pyrazol-5-amine;2-phenylacetic acid
PubChem CID89482782
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name1-methyl-3-[(2R)-pyrrolidin-2-yl]pyrazol-5-amine;2-phenylacetic acid
SMILESCn1nc([C@H]2CCCN2)cc1N.O=C(O)Cc1ccccc1
InChIInChI=1S/C8H14N4.C8H8O2/c1-12-8(9)5-7(11-12)6-3-2-4-10-6;9-8(10)6-7-4-2-1-3-5-7/h5-6,10H,2-4,9H2,1H3;1-5H,6H2,(H,9,10)/t6-;/m1./s1
InChIKeyKWBGVWJMHVRCAG-FYZOBXCZSA-N
XLogP1.74
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(2R)-pyrrolidin-2-yl]pyrazol-5-amine;2-phenylacetic acid?
The IUPAC name of 1-methyl-3-[(2R)-pyrrolidin-2-yl]pyrazol-5-amine;2-phenylacetic acid (CID 89482782) is 1-methyl-3-[(2R)-pyrrolidin-2-yl]pyrazol-5-amine;2-phenylacetic acid.
What is the SMILES notation for 1-methyl-3-[(2R)-pyrrolidin-2-yl]pyrazol-5-amine;2-phenylacetic acid?
The canonical SMILES for 1-methyl-3-[(2R)-pyrrolidin-2-yl]pyrazol-5-amine;2-phenylacetic acid is Cn1nc([C@H]2CCCN2)cc1N.O=C(O)Cc1ccccc1.
What is the InChIKey of 1-methyl-3-[(2R)-pyrrolidin-2-yl]pyrazol-5-amine;2-phenylacetic acid?
The InChIKey is KWBGVWJMHVRCAG-FYZOBXCZSA-N. The full InChI is InChI=1S/C8H14N4.C8H8O2/c1-12-8(9)5-7(11-12)6-3-2-4-10-6;9-8(10)6-7-4-2-1-3-5-7/h5-6,10H,2-4,9H2,1H3;1-5H,6H2,(H,9,10)/t6-;/m1./s1.
What are the key properties of 1-methyl-3-[(2R)-pyrrolidin-2-yl]pyrazol-5-amine;2-phenylacetic acid?
1-methyl-3-[(2R)-pyrrolidin-2-yl]pyrazol-5-amine;2-phenylacetic acid has a molecular weight of 302.38 g/mol, XLogP of 1.74, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(2R)-pyrrolidin-2-yl]pyrazol-5-amine;2-phenylacetic acid is sourced from PubChem (CID 89482782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).