cyclopropyl-[1-[(1,3-diethylpyrazol-5-yl)methyl]pyrrol-3-yl]methanol

C16H23N3O — CID 79103901

IUPACcyclopropyl-[1-[(1,3-diethylpyrazol-5-yl)methyl]pyrrol-3-yl]methanol
SMILESCCc1cc(Cn2ccc(C(O)C3CC3)c2)n(CC)n1
InChIInChI=1S/C16H23N3O/c1-3-14-9-15(19(4-2)17-14)11-18-8-7-13(10-18)16(20)12-5-6-12/h7-10,12,16,20H,3-6,11H2,1-2H3
InChIKeyCCXBFPNQUALZGX-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.76
Rot. Bonds6

About cyclopropyl-[1-[(1,3-diethylpyrazol-5-yl)methyl]pyrrol-3-yl]methanol

cyclopropyl-[1-[(1,3-diethylpyrazol-5-yl)methyl]pyrrol-3-yl]methanol (PubChem CID 79103901) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is cyclopropyl-[1-[(1,3-diethylpyrazol-5-yl)methyl]pyrrol-3-yl]methanol.

Molecular Properties

Compound Namecyclopropyl-[1-[(1,3-diethylpyrazol-5-yl)methyl]pyrrol-3-yl]methanol
PubChem CID79103901
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Namecyclopropyl-[1-[(1,3-diethylpyrazol-5-yl)methyl]pyrrol-3-yl]methanol
SMILESCCc1cc(Cn2ccc(C(O)C3CC3)c2)n(CC)n1
InChIInChI=1S/C16H23N3O/c1-3-14-9-15(19(4-2)17-14)11-18-8-7-13(10-18)16(20)12-5-6-12/h7-10,12,16,20H,3-6,11H2,1-2H3
InChIKeyCCXBFPNQUALZGX-UHFFFAOYSA-N
XLogP2.76
TPSA42.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopropyl-(1-propylpyrrol-3-yl)methanol
CID 79097754
cyclopropyl-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]methanol
CID 79103726
cyclopropyl-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrol-3-yl]methanol
CID 79103550
[1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]pyrrol-3-yl]-cyclopropylmethanamine
CID 79098652
(1,3-diethylpyrazol-5-yl)-(4-methylcyclohexyl)methanol
CID 105102592
1-cyclobutyl-3-(1,3-diethylpyrazol-5-yl)propan-2-ol
CID 103170098
cyclopropyl-(1,3-diethylpyrazol-5-yl)methanamine
CID 105157155
cyclopropyl-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrol-3-yl]methanol
CID 79103631
(3S)-1-[(1,3-diethylpyrazol-5-yl)methyl]pyrrolidin-3-ol
CID 79030658
(3R)-1-[(1,3-diethylpyrazol-5-yl)methyl]pyrrolidin-3-ol
CID 66291557
cyclopropyl-[1-[(2,5-difluorophenyl)methyl]pyrrol-3-yl]methanol
CID 79097340
cyclopropyl-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-3-yl]methanol
CID 112591034

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[1-[(1,3-diethylpyrazol-5-yl)methyl]pyrrol-3-yl]methanol?
The IUPAC name of cyclopropyl-[1-[(1,3-diethylpyrazol-5-yl)methyl]pyrrol-3-yl]methanol (CID 79103901) is cyclopropyl-[1-[(1,3-diethylpyrazol-5-yl)methyl]pyrrol-3-yl]methanol.
What is the SMILES notation for cyclopropyl-[1-[(1,3-diethylpyrazol-5-yl)methyl]pyrrol-3-yl]methanol?
The canonical SMILES for cyclopropyl-[1-[(1,3-diethylpyrazol-5-yl)methyl]pyrrol-3-yl]methanol is CCc1cc(Cn2ccc(C(O)C3CC3)c2)n(CC)n1.
What is the InChIKey of cyclopropyl-[1-[(1,3-diethylpyrazol-5-yl)methyl]pyrrol-3-yl]methanol?
The InChIKey is CCXBFPNQUALZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-3-14-9-15(19(4-2)17-14)11-18-8-7-13(10-18)16(20)12-5-6-12/h7-10,12,16,20H,3-6,11H2,1-2H3.
What are the key properties of cyclopropyl-[1-[(1,3-diethylpyrazol-5-yl)methyl]pyrrol-3-yl]methanol?
cyclopropyl-[1-[(1,3-diethylpyrazol-5-yl)methyl]pyrrol-3-yl]methanol has a molecular weight of 273.38 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[1-[(1,3-diethylpyrazol-5-yl)methyl]pyrrol-3-yl]methanol is sourced from PubChem (CID 79103901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).