5-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine

C18H24N6 — CID 110132857

IUPAC5-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine
SMILESCCCn1cc(CN2CCC(c3ccn4nccc4n3)CC2)cn1
InChIInChI=1S/C18H24N6/c1-2-8-23-14-15(12-20-23)13-22-9-4-16(5-10-22)17-6-11-24-18(21-17)3-7-19-24/h3,6-7,11-12,14,16H,2,4-5,8-10,13H2,1H3
InChIKeyZGMCWIRMMSVHFQ-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.72
Rot. Bonds5

About 5-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine

5-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine (PubChem CID 110132857) has the molecular formula C18H24N6 and a molecular weight of 324.43 g/mol. Its IUPAC name is 5-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine
PubChem CID110132857
Molecular FormulaC18H24N6
Molecular Weight324.43 g/mol
Exact Mass324.21
IUPAC Name5-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine
SMILESCCCn1cc(CN2CCC(c3ccn4nccc4n3)CC2)cn1
InChIInChI=1S/C18H24N6/c1-2-8-23-14-15(12-20-23)13-22-9-4-16(5-10-22)17-6-11-24-18(21-17)3-7-19-24/h3,6-7,11-12,14,16H,2,4-5,8-10,13H2,1H3
InChIKeyZGMCWIRMMSVHFQ-UHFFFAOYSA-N
XLogP2.72
TPSA51.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine
CID 110091301
2-methyl-4-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-3-yl]pyrimidine
CID 110115044
(2S)-4-[(1-propylpyrazol-4-yl)methyl]-2-pyridin-2-ylmorpholine
CID 124941629
2-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-4-yl]ethanamine
CID 103572299
1-[(1-propylpyrazol-4-yl)methyl]-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
CID 75496981
2-(5-methyl-2-pyridinyl)-4-[(1-propylpyrazol-4-yl)methyl]morpholine
CID 127245697
2-imidazol-1-yl-6-[(2S)-1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine
CID 95826958
1-ethylsulfonyl-4-[(1-propylpyrazol-4-yl)methyl]piperazine
CID 126787487
(2-ethoxy-3-pyridinyl)-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)methanone
CID 110132803
3-methyl-1-[(1-propylpyrazol-4-yl)methyl]piperazine
CID 115879784
4-[(2R)-1-[(1-propylpyrazol-4-yl)methyl]piperidin-2-yl]pyrimidine
CID 125016297
2-[4-[(1-propylpyrazol-4-yl)methyl]morpholin-2-yl]acetic acid
CID 103573426

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine (CID 110132857) is 5-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine is CCCn1cc(CN2CCC(c3ccn4nccc4n3)CC2)cn1.
What is the InChIKey of 5-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is ZGMCWIRMMSVHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6/c1-2-8-23-14-15(12-20-23)13-22-9-4-16(5-10-22)17-6-11-24-18(21-17)3-7-19-24/h3,6-7,11-12,14,16H,2,4-5,8-10,13H2,1H3.
What are the key properties of 5-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine?
5-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 324.43 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 110132857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).