4-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]pyrimidine-5-carboxylic acid

C12H15N5O2 — CID 103247700

IUPAC4-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]pyrimidine-5-carboxylic acid
SMILESCC(Cn1cccn1)NCc1ncncc1C(=O)O
InChIInChI=1S/C12H15N5O2/c1-9(7-17-4-2-3-16-17)14-6-11-10(12(18)19)5-13-8-15-11/h2-5,8-9,14H,6-7H2,1H3,(H,18,19)
InChIKeyWCRNJDQZGRCCSQ-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.55
Rot. Bonds6

About 4-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]pyrimidine-5-carboxylic acid

4-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]pyrimidine-5-carboxylic acid (PubChem CID 103247700) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is 4-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]pyrimidine-5-carboxylic acid
PubChem CID103247700
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC Name4-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]pyrimidine-5-carboxylic acid
SMILESCC(Cn1cccn1)NCc1ncncc1C(=O)O
InChIInChI=1S/C12H15N5O2/c1-9(7-17-4-2-3-16-17)14-6-11-10(12(18)19)5-13-8-15-11/h2-5,8-9,14H,6-7H2,1H3,(H,18,19)
InChIKeyWCRNJDQZGRCCSQ-UHFFFAOYSA-N
XLogP0.55
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
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

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Related Compounds

4-[(1-ethylsulfanylpropan-2-ylamino)methyl]pyrimidine-5-carboxylic acid
CID 103267382
4-[(3-pyrazol-1-ylpropylamino)methyl]pyrimidine-5-carboxylic acid
CID 103263433
4-[(pent-4-yn-2-ylamino)methyl]pyrimidine-5-carboxylic acid
CID 103265980
4-[(pyrrol-1-ylamino)methyl]pyrimidine-5-carboxylic acid
CID 103255594
4-[[(1-methoxy-1-oxopropan-2-yl)amino]methyl]pyrimidine-5-carboxylic acid
CID 103245311
4-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]pyrimidine-5-carboxylic acid
CID 103248664
N-(pyrazin-2-ylmethyl)-1-pyrazol-1-ylpropan-2-amine
CID 62761307
2-methyl-3-(1-pyrazol-1-ylpropan-2-ylamino)propanoic acid
CID 61462644
4-[[[(1S)-1-(2-bromophenyl)ethyl]amino]methyl]pyrimidine-5-carboxylic acid
CID 103257740
2-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)benzoic acid
CID 60940603
4-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]benzamide
CID 43791881
6-methyl-2-[[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]methyl]pyridin-3-ol
CID 95275043

Frequently Asked Questions

What is the IUPAC name of 4-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]pyrimidine-5-carboxylic acid?
The IUPAC name of 4-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]pyrimidine-5-carboxylic acid (CID 103247700) is 4-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]pyrimidine-5-carboxylic acid is CC(Cn1cccn1)NCc1ncncc1C(=O)O.
What is the InChIKey of 4-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]pyrimidine-5-carboxylic acid?
The InChIKey is WCRNJDQZGRCCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-9(7-17-4-2-3-16-17)14-6-11-10(12(18)19)5-13-8-15-11/h2-5,8-9,14H,6-7H2,1H3,(H,18,19).
What are the key properties of 4-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]pyrimidine-5-carboxylic acid?
4-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]pyrimidine-5-carboxylic acid has a molecular weight of 261.28 g/mol, XLogP of 0.55, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 103247700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).