4-[(3-pyrazol-1-ylpropylamino)methyl]pyrimidine-5-carboxylic acid

C12H15N5O2 — CID 103263433

IUPAC4-[(3-pyrazol-1-ylpropylamino)methyl]pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cncnc1CNCCCn1cccn1
InChIInChI=1S/C12H15N5O2/c18-12(19)10-7-14-9-15-11(10)8-13-3-1-5-17-6-2-4-16-17/h2,4,6-7,9,13H,1,3,5,8H2,(H,18,19)
InChIKeyUNZBIJBUMHGJDD-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.55
Rot. Bonds7

About 4-[(3-pyrazol-1-ylpropylamino)methyl]pyrimidine-5-carboxylic acid

4-[(3-pyrazol-1-ylpropylamino)methyl]pyrimidine-5-carboxylic acid (PubChem CID 103263433) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is 4-[(3-pyrazol-1-ylpropylamino)methyl]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-[(3-pyrazol-1-ylpropylamino)methyl]pyrimidine-5-carboxylic acid
PubChem CID103263433
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC Name4-[(3-pyrazol-1-ylpropylamino)methyl]pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cncnc1CNCCCn1cccn1
InChIInChI=1S/C12H15N5O2/c18-12(19)10-7-14-9-15-11(10)8-13-3-1-5-17-6-2-4-16-17/h2,4,6-7,9,13H,1,3,5,8H2,(H,18,19)
InChIKeyUNZBIJBUMHGJDD-UHFFFAOYSA-N
XLogP0.55
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]pyrimidine-5-carboxylic acid
CID 103247700
4-[(2-hydroxyethylamino)methyl]pyrimidine-5-carboxylic acid
CID 103238229
4-[(pyrrol-1-ylamino)methyl]pyrimidine-5-carboxylic acid
CID 103255594
2-fluoro-4-[(3-pyrazol-1-ylpropylamino)methyl]benzoic acid
CID 106700408
4-[[2-(3-hydroxypropylsulfanyl)ethylamino]methyl]pyrimidine-5-carboxylic acid
CID 106305652
4-[(2-carbamoyloxyethylamino)methyl]pyrimidine-5-carboxylic acid
CID 103262153
4-[(2-thiophen-2-ylethylamino)methyl]pyrimidine-5-carboxylic acid
CID 103235532
(E)-4-(3-pyrazol-1-ylpropylamino)but-2-enoic acid
CID 103263443
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-3-pyrazol-1-ylpropan-1-amine
CID 115593187
3-(3-pyrazol-1-ylpropylamino)pyrazine-2-carboxylic acid
CID 113413256
4-[[(2-methyl-2-methylsulfonylpropyl)amino]methyl]pyrimidine-5-carboxylic acid
CID 103256249
4-[[(3-ethyl-2-hydroxypentyl)amino]methyl]pyrimidine-5-carboxylic acid
CID 106287935

Frequently Asked Questions

What is the IUPAC name of 4-[(3-pyrazol-1-ylpropylamino)methyl]pyrimidine-5-carboxylic acid?
The IUPAC name of 4-[(3-pyrazol-1-ylpropylamino)methyl]pyrimidine-5-carboxylic acid (CID 103263433) is 4-[(3-pyrazol-1-ylpropylamino)methyl]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-[(3-pyrazol-1-ylpropylamino)methyl]pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-[(3-pyrazol-1-ylpropylamino)methyl]pyrimidine-5-carboxylic acid is O=C(O)c1cncnc1CNCCCn1cccn1.
What is the InChIKey of 4-[(3-pyrazol-1-ylpropylamino)methyl]pyrimidine-5-carboxylic acid?
The InChIKey is UNZBIJBUMHGJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c18-12(19)10-7-14-9-15-11(10)8-13-3-1-5-17-6-2-4-16-17/h2,4,6-7,9,13H,1,3,5,8H2,(H,18,19).
What are the key properties of 4-[(3-pyrazol-1-ylpropylamino)methyl]pyrimidine-5-carboxylic acid?
4-[(3-pyrazol-1-ylpropylamino)methyl]pyrimidine-5-carboxylic acid has a molecular weight of 261.28 g/mol, XLogP of 0.55, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-pyrazol-1-ylpropylamino)methyl]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 103263433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).