2-(aminomethyl)-3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-cyclopropylpropan-1-ol

C14H24ClN3O — CID 106506603

IUPAC2-(aminomethyl)-3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-cyclopropylpropan-1-ol
SMILESCCc1nn(CC)c(CC(CN)(CO)C2CC2)c1Cl
InChIInChI=1S/C14H24ClN3O/c1-3-11-13(15)12(18(4-2)17-11)7-14(8-16,9-19)10-5-6-10/h10,19H,3-9,16H2,1-2H3
InChIKeyCWQCJGYDPJQTQI-UHFFFAOYSA-N
MW285.82 g/mol
LogP2.01
Rot. Bonds7

About 2-(aminomethyl)-3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-cyclopropylpropan-1-ol

2-(aminomethyl)-3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-cyclopropylpropan-1-ol (PubChem CID 106506603) has the molecular formula C14H24ClN3O and a molecular weight of 285.82 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-cyclopropylpropan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-cyclopropylpropan-1-ol
PubChem CID106506603
Molecular FormulaC14H24ClN3O
Molecular Weight285.82 g/mol
Exact Mass285.16
IUPAC Name2-(aminomethyl)-3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-cyclopropylpropan-1-ol
SMILESCCc1nn(CC)c(CC(CN)(CO)C2CC2)c1Cl
InChIInChI=1S/C14H24ClN3O/c1-3-11-13(15)12(18(4-2)17-11)7-14(8-16,9-19)10-5-6-10/h10,19H,3-9,16H2,1-2H3
InChIKeyCWQCJGYDPJQTQI-UHFFFAOYSA-N
XLogP2.01
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chloro-1,3-diethylpyrazol-5-yl)-2,2-dimethylpropan-1-ol
CID 66026711
5-(3-bromo-2-cyclopropyl-2-methylpropyl)-4-chloro-1,3-diethylpyrazole
CID 83150958
2-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-2-methylbut-3-en-1-ol
CID 102641943
1-amino-3-(4-chloro-1,3-diethylpyrazol-5-yl)propan-2-one
CID 116548422
3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-2-cyclopropyl-2-methylpropan-1-ol
CID 83150607
3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-2-cyclopropyl-2-fluoropropan-1-amine
CID 112567110
2-(aminomethyl)-2-cyclopropyl-3-(3-ethyl-1-methylpyrazol-5-yl)propan-1-ol
CID 106506639
4-chloro-5-[2-(chloromethyl)-2,3-dimethylbutyl]-1,3-diethylpyrazole
CID 83152816
3-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]oxan-4-amine
CID 106468968
3-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]-2,2-dimethylpropan-1-ol
CID 113293882
[1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-cyclopentylpropan-2-yl]hydrazine
CID 105318256
2-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-2,3-dimethylbutanoic acid
CID 83148157

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-cyclopropylpropan-1-ol?
The IUPAC name of 2-(aminomethyl)-3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-cyclopropylpropan-1-ol (CID 106506603) is 2-(aminomethyl)-3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-cyclopropylpropan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-cyclopropylpropan-1-ol?
The canonical SMILES for 2-(aminomethyl)-3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-cyclopropylpropan-1-ol is CCc1nn(CC)c(CC(CN)(CO)C2CC2)c1Cl.
What is the InChIKey of 2-(aminomethyl)-3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-cyclopropylpropan-1-ol?
The InChIKey is CWQCJGYDPJQTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3O/c1-3-11-13(15)12(18(4-2)17-11)7-14(8-16,9-19)10-5-6-10/h10,19H,3-9,16H2,1-2H3.
What are the key properties of 2-(aminomethyl)-3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-cyclopropylpropan-1-ol?
2-(aminomethyl)-3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-cyclopropylpropan-1-ol has a molecular weight of 285.82 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-cyclopropylpropan-1-ol is sourced from PubChem (CID 106506603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).