3-(1H-pyrazol-5-ylmethylamino)pyridine-4-carboxylic acid

C10H10N4O2 — CID 127030808

IUPAC3-(1H-pyrazol-5-ylmethylamino)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1NCc1ccn[nH]1
InChIInChI=1S/C10H10N4O2/c15-10(16)8-2-3-11-6-9(8)12-5-7-1-4-13-14-7/h1-4,6,12H,5H2,(H,13,14)(H,15,16)
InChIKeyJBRMNQGTCSOOQE-UHFFFAOYSA-N
MW218.22 g/mol
LogP1.12
Rot. Bonds4

About 3-(1H-pyrazol-5-ylmethylamino)pyridine-4-carboxylic acid

3-(1H-pyrazol-5-ylmethylamino)pyridine-4-carboxylic acid (PubChem CID 127030808) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 3-(1H-pyrazol-5-ylmethylamino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-(1H-pyrazol-5-ylmethylamino)pyridine-4-carboxylic acid
PubChem CID127030808
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name3-(1H-pyrazol-5-ylmethylamino)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1NCc1ccn[nH]1
InChIInChI=1S/C10H10N4O2/c15-10(16)8-2-3-11-6-9(8)12-5-7-1-4-13-14-7/h1-4,6,12H,5H2,(H,13,14)(H,15,16)
InChIKeyJBRMNQGTCSOOQE-UHFFFAOYSA-N
XLogP1.12
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-Aminopropylamino)pyridine-4-carboxylic acid
CID 83698744
N-(1H-pyrazol-4-yl)pyridine-4-carboxamide
CID 20784958
4-(Pyridin-4-yl)-1H-pyrazole-5-carboxylic acid
CID 14171457
5-methyl-1-(pyridin-4-yl)-1H-pyrazole-4-carboxylic acid
CID 22267819
1-Pyridin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 24252939
1-Pyridin-3-yl-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 58374142
5-(pyridin-4-yl)-1H-pyrazole-3-carboxylic acid hydrochloride
CID 17096159
3-(pyridin-2-yl)-1H-pyrazole-4-carboxylic acid
CID 28948772
1H-Pyrazolo(4,3-b)pyridine-6-carboxylic acid
CID 67151339
1H-pyrazolo[3,4-c]pyridine-4-carboxylic acid
CID 72207431
5-(1H-pyrazol-1-yl)pyridine-3-carboxylic acid
CID 82404805
1-(pyridin-3-yl)-1H-pyrazole-3-carboxylic acid hydrochloride
CID 139026668

Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrazol-5-ylmethylamino)pyridine-4-carboxylic acid?
The IUPAC name of 3-(1H-pyrazol-5-ylmethylamino)pyridine-4-carboxylic acid (CID 127030808) is 3-(1H-pyrazol-5-ylmethylamino)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-(1H-pyrazol-5-ylmethylamino)pyridine-4-carboxylic acid?
The canonical SMILES for 3-(1H-pyrazol-5-ylmethylamino)pyridine-4-carboxylic acid is O=C(O)c1ccncc1NCc1ccn[nH]1.
What is the InChIKey of 3-(1H-pyrazol-5-ylmethylamino)pyridine-4-carboxylic acid?
The InChIKey is JBRMNQGTCSOOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c15-10(16)8-2-3-11-6-9(8)12-5-7-1-4-13-14-7/h1-4,6,12H,5H2,(H,13,14)(H,15,16).
What are the key properties of 3-(1H-pyrazol-5-ylmethylamino)pyridine-4-carboxylic acid?
3-(1H-pyrazol-5-ylmethylamino)pyridine-4-carboxylic acid has a molecular weight of 218.22 g/mol, XLogP of 1.12, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrazol-5-ylmethylamino)pyridine-4-carboxylic acid is sourced from PubChem (CID 127030808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).