[1-[[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]cyclopropyl]methanol

C12H20ClN3O — CID 111579370

IUPAC[1-[[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]cyclopropyl]methanol
SMILESCCc1nn(C)c(Cl)c1CNCC1(CO)CC1
InChIInChI=1S/C12H20ClN3O/c1-3-10-9(11(13)16(2)15-10)6-14-7-12(8-17)4-5-12/h14,17H,3-8H2,1-2H3
InChIKeyMVGDZKKKFXRBDE-UHFFFAOYSA-N
MW257.76 g/mol
LogP1.50
Rot. Bonds6

About [1-[[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]cyclopropyl]methanol

[1-[[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]cyclopropyl]methanol (PubChem CID 111579370) has the molecular formula C12H20ClN3O and a molecular weight of 257.76 g/mol. Its IUPAC name is [1-[[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]cyclopropyl]methanol
PubChem CID111579370
Molecular FormulaC12H20ClN3O
Molecular Weight257.76 g/mol
Exact Mass257.13
IUPAC Name[1-[[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]cyclopropyl]methanol
SMILESCCc1nn(C)c(Cl)c1CNCC1(CO)CC1
InChIInChI=1S/C12H20ClN3O/c1-3-10-9(11(13)16(2)15-10)6-14-7-12(8-17)4-5-12/h14,17H,3-8H2,1-2H3
InChIKeyMVGDZKKKFXRBDE-UHFFFAOYSA-N
XLogP1.50
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [1-[[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]cyclopropyl]methanol with MolForge

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Related Compounds

[1-[[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methylamino]methyl]cyclopropyl]methanol
CID 113313219
2-[1-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]cyclopropyl]ethanol
CID 114750158
2-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]propane-1,3-diol
CID 115655448
N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-3-fluoropropan-1-amine
CID 115732900
5-chloro-3,4-diethyl-1-methylpyrazole
CID 142045538
N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-2-ethoxyethanamine
CID 115630423
[1-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]cyclopentyl]methanol
CID 115358694
[1-[[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]methyl]cyclohexyl]methanol
CID 103966491
1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 111421651
[1-[[(3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]cyclopentyl]methanol
CID 112669129
[1-[[(1-methylindazol-3-yl)methylamino]methyl]cyclopropyl]methanol
CID 79479073
3-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]-4-methylpentan-1-ol
CID 111469232

Frequently Asked Questions

What is the IUPAC name of [1-[[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]cyclopropyl]methanol?
The IUPAC name of [1-[[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]cyclopropyl]methanol (CID 111579370) is [1-[[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]cyclopropyl]methanol is CCc1nn(C)c(Cl)c1CNCC1(CO)CC1.
What is the InChIKey of [1-[[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]cyclopropyl]methanol?
The InChIKey is MVGDZKKKFXRBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3O/c1-3-10-9(11(13)16(2)15-10)6-14-7-12(8-17)4-5-12/h14,17H,3-8H2,1-2H3.
What are the key properties of [1-[[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]cyclopropyl]methanol?
[1-[[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]cyclopropyl]methanol has a molecular weight of 257.76 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]cyclopropyl]methanol is sourced from PubChem (CID 111579370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).