5-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrimidine

C12H15N5 — CID 127247070

IUPAC5-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrimidine
SMILESc1ncc(CN2CCC(c3ccn[nH]3)C2)cn1
InChIInChI=1S/C12H15N5/c1-3-15-16-12(1)11-2-4-17(8-11)7-10-5-13-9-14-6-10/h1,3,5-6,9,11H,2,4,7-8H2,(H,15,16)
InChIKeyYJQHYZPTYGZSCU-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.19
Rot. Bonds3

About 5-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrimidine

5-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrimidine (PubChem CID 127247070) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is 5-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrimidine.

Molecular Properties

Compound Name5-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrimidine
PubChem CID127247070
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC Name5-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrimidine
SMILESc1ncc(CN2CCC(c3ccn[nH]3)C2)cn1
InChIInChI=1S/C12H15N5/c1-3-15-16-12(1)11-2-4-17(8-11)7-10-5-13-9-14-6-10/h1,3,5-6,9,11H,2,4,7-8H2,(H,15,16)
InChIKeyYJQHYZPTYGZSCU-UHFFFAOYSA-N
XLogP1.19
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-[[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrimidine
CID 124963845
N,N-dimethyl-5-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrimidin-2-amine
CID 110096277
5-[[(3S)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 125012821
5-[(3S)-1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-3-yl]-1H-pyrazole
CID 95846034
1-[(1-methylpyrazol-4-yl)methyl]-4-(1H-pyrazol-5-yl)piperidine
CID 95817555
1-[(3,4-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine
CID 45200707
3-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-1H-indole
CID 127247080
4-[[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-5-thiophen-2-yl-1H-pyrazole
CID 125009893
(3S)-1-[(2,6-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine
CID 124568925
6-[[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]quinoline
CID 124568885
4-[3-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]furo[3,2-c]pyridine
CID 165424829
1-methyl-4-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrrole-2-carbonitrile
CID 129401409

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrimidine?
The IUPAC name of 5-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrimidine (CID 127247070) is 5-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrimidine.
What is the SMILES notation for 5-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrimidine?
The canonical SMILES for 5-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrimidine is c1ncc(CN2CCC(c3ccn[nH]3)C2)cn1.
What is the InChIKey of 5-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrimidine?
The InChIKey is YJQHYZPTYGZSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c1-3-15-16-12(1)11-2-4-17(8-11)7-10-5-13-9-14-6-10/h1,3,5-6,9,11H,2,4,7-8H2,(H,15,16).
What are the key properties of 5-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrimidine?
5-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrimidine has a molecular weight of 229.29 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrimidine is sourced from PubChem (CID 127247070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).