3-[(4-cyclohexylpiperazin-1-yl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine

C19H29N5 — CID 77083067

IUPAC3-[(4-cyclohexylpiperazin-1-yl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2ncc(CN3CCN(C4CCCCC4)CC3)c2n1
InChIInChI=1S/C19H29N5/c1-15-12-16(2)24-19(21-15)17(13-20-24)14-22-8-10-23(11-9-22)18-6-4-3-5-7-18/h12-13,18H,3-11,14H2,1-2H3
InChIKeyAIVDEDUGRAKQTE-UHFFFAOYSA-N
MW327.48 g/mol
LogP2.80
Rot. Bonds3

About 3-[(4-cyclohexylpiperazin-1-yl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine

3-[(4-cyclohexylpiperazin-1-yl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine (PubChem CID 77083067) has the molecular formula C19H29N5 and a molecular weight of 327.48 g/mol. Its IUPAC name is 3-[(4-cyclohexylpiperazin-1-yl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-[(4-cyclohexylpiperazin-1-yl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine
PubChem CID77083067
Molecular FormulaC19H29N5
Molecular Weight327.48 g/mol
Exact Mass327.24
IUPAC Name3-[(4-cyclohexylpiperazin-1-yl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2ncc(CN3CCN(C4CCCCC4)CC3)c2n1
InChIInChI=1S/C19H29N5/c1-15-12-16(2)24-19(21-15)17(13-20-24)14-22-8-10-23(11-9-22)18-6-4-3-5-7-18/h12-13,18H,3-11,14H2,1-2H3
InChIKeyAIVDEDUGRAKQTE-UHFFFAOYSA-N
XLogP2.80
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.48
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]piperidin-4-yl]methanesulfonamide
CID 56720652
5,7-dimethyl-3-[[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine
CID 110106306
1-[4-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-1,4-diazepan-1-yl]-2-methoxyethanone
CID 56709167
5,7-dimethyl-3-[[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine
CID 125027023
9-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-1,4-dimethyl-1,4,9-triazaspiro[5.5]undecane
CID 56749916
5,7-dimethyl-3-[[3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine
CID 77098483
4-[1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]piperidin-3-yl]benzoic acid
CID 72844801
4-[(3R)-1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]piperidin-3-yl]benzoic acid
CID 97188266
1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-methyl-1,4-diazepane-6-carboxamide
CID 127247823
(2S)-4-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-2-(4,6-dimethylpyrimidin-2-yl)morpholine
CID 125007734
5,7-dimethyl-3-[[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine
CID 124973365
N-[2-[(3R)-1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]piperidin-3-yl]ethyl]acetamide
CID 95230082

Frequently Asked Questions

What is the IUPAC name of 3-[(4-cyclohexylpiperazin-1-yl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-[(4-cyclohexylpiperazin-1-yl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine (CID 77083067) is 3-[(4-cyclohexylpiperazin-1-yl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-[(4-cyclohexylpiperazin-1-yl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-[(4-cyclohexylpiperazin-1-yl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine is Cc1cc(C)n2ncc(CN3CCN(C4CCCCC4)CC3)c2n1.
What is the InChIKey of 3-[(4-cyclohexylpiperazin-1-yl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine?
The InChIKey is AIVDEDUGRAKQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5/c1-15-12-16(2)24-19(21-15)17(13-20-24)14-22-8-10-23(11-9-22)18-6-4-3-5-7-18/h12-13,18H,3-11,14H2,1-2H3.
What are the key properties of 3-[(4-cyclohexylpiperazin-1-yl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine?
3-[(4-cyclohexylpiperazin-1-yl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine has a molecular weight of 327.48 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-cyclohexylpiperazin-1-yl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 77083067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).