2-(1H-pyrazol-5-yl)-2-(pyrrolidin-3-ylamino)acetic acid

C9H14N4O2 — CID 82394882

IUPAC2-(1H-pyrazol-5-yl)-2-(pyrrolidin-3-ylamino)acetic acid
SMILESO=C(O)C(NC1CCNC1)c1ccn[nH]1
InChIInChI=1S/C9H14N4O2/c14-9(15)8(7-2-4-11-13-7)12-6-1-3-10-5-6/h2,4,6,8,10,12H,1,3,5H2,(H,11,13)(H,14,15)
InChIKeyXSKCUWMGGSCSGE-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.51
Rot. Bonds4

About 2-(1H-pyrazol-5-yl)-2-(pyrrolidin-3-ylamino)acetic acid

2-(1H-pyrazol-5-yl)-2-(pyrrolidin-3-ylamino)acetic acid (PubChem CID 82394882) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 2-(1H-pyrazol-5-yl)-2-(pyrrolidin-3-ylamino)acetic acid.

Molecular Properties

Compound Name2-(1H-pyrazol-5-yl)-2-(pyrrolidin-3-ylamino)acetic acid
PubChem CID82394882
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name2-(1H-pyrazol-5-yl)-2-(pyrrolidin-3-ylamino)acetic acid
SMILESO=C(O)C(NC1CCNC1)c1ccn[nH]1
InChIInChI=1S/C9H14N4O2/c14-9(15)8(7-2-4-11-13-7)12-6-1-3-10-5-6/h2,4,6,8,10,12H,1,3,5H2,(H,11,13)(H,14,15)
InChIKeyXSKCUWMGGSCSGE-UHFFFAOYSA-N
XLogP-0.51
TPSA90.04 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-(pyrrolidin-3-ylamino)propanoic acid
CID 66810239
N-[(3R)-piperidin-3-yl]-1H-pyrazole-5-carboxamide
CID 104645486
N-piperidin-3-yl-2-(1H-pyrazol-5-yl)acetamide
CID 112530944
N-piperidin-4-yl-1H-pyrazole-5-carboxamide
CID 62050322
2,2-diphenyl-N-pyrrolidin-3-ylacetamide
CID 21221994
N-[(3S)-piperidin-3-yl]-1H-pyrazole-5-sulfonamide
CID 102693697
N-[(3R)-pyrrolidin-3-yl]pyridin-4-amine
CID 89333322
2-phenyl-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 79688083
N-(azetidin-3-yl)-1H-pyrazole-5-carboxamide
CID 66187687
benzyl 2-(pyrrolidin-3-ylamino)propanoate
CID 19853358
pyrrolidin-3-ylcarbamic acid;hydrochloride
CID 141142005
(3S)-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide
CID 94916818

Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrazol-5-yl)-2-(pyrrolidin-3-ylamino)acetic acid?
The IUPAC name of 2-(1H-pyrazol-5-yl)-2-(pyrrolidin-3-ylamino)acetic acid (CID 82394882) is 2-(1H-pyrazol-5-yl)-2-(pyrrolidin-3-ylamino)acetic acid.
What is the SMILES notation for 2-(1H-pyrazol-5-yl)-2-(pyrrolidin-3-ylamino)acetic acid?
The canonical SMILES for 2-(1H-pyrazol-5-yl)-2-(pyrrolidin-3-ylamino)acetic acid is O=C(O)C(NC1CCNC1)c1ccn[nH]1.
What is the InChIKey of 2-(1H-pyrazol-5-yl)-2-(pyrrolidin-3-ylamino)acetic acid?
The InChIKey is XSKCUWMGGSCSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c14-9(15)8(7-2-4-11-13-7)12-6-1-3-10-5-6/h2,4,6,8,10,12H,1,3,5H2,(H,11,13)(H,14,15).
What are the key properties of 2-(1H-pyrazol-5-yl)-2-(pyrrolidin-3-ylamino)acetic acid?
2-(1H-pyrazol-5-yl)-2-(pyrrolidin-3-ylamino)acetic acid has a molecular weight of 210.24 g/mol, XLogP of -0.51, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrazol-5-yl)-2-(pyrrolidin-3-ylamino)acetic acid is sourced from PubChem (CID 82394882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).