1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-N-ethyl-2-methoxy-2-methylpropan-1-amine

C14H27ClN4O — CID 114657422

IUPAC1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-N-ethyl-2-methoxy-2-methylpropan-1-amine
SMILESCCNC(c1c(Cl)cnn1CCN(C)C)C(C)(C)OC
InChIInChI=1S/C14H27ClN4O/c1-7-16-13(14(2,3)20-6)12-11(15)10-17-19(12)9-8-18(4)5/h10,13,16H,7-9H2,1-6H3
InChIKeyLOCNAYPVONPNSG-UHFFFAOYSA-N
MW302.85 g/mol
LogP2.17
Rot. Bonds8

About 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-N-ethyl-2-methoxy-2-methylpropan-1-amine

1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-N-ethyl-2-methoxy-2-methylpropan-1-amine (PubChem CID 114657422) has the molecular formula C14H27ClN4O and a molecular weight of 302.85 g/mol. Its IUPAC name is 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-N-ethyl-2-methoxy-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-N-ethyl-2-methoxy-2-methylpropan-1-amine
PubChem CID114657422
Molecular FormulaC14H27ClN4O
Molecular Weight302.85 g/mol
Exact Mass302.19
IUPAC Name1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-N-ethyl-2-methoxy-2-methylpropan-1-amine
SMILESCCNC(c1c(Cl)cnn1CCN(C)C)C(C)(C)OC
InChIInChI=1S/C14H27ClN4O/c1-7-16-13(14(2,3)20-6)12-11(15)10-17-19(12)9-8-18(4)5/h10,13,16H,7-9H2,1-6H3
InChIKeyLOCNAYPVONPNSG-UHFFFAOYSA-N
XLogP2.17
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.85
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-N-ethyl-2-methoxy-2-methylpropan-1-amine
CID 114657427
1-(4-bromo-1-propylpyrazol-5-yl)-N-ethyl-2-methoxy-2-methylpropan-1-amine
CID 114657423
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-ethoxy-2-methylpropan-1-ol
CID 114645722
2-[4-chloro-5-[ethylamino-(1-methoxycyclobutyl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 114660941
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-3,3-dimethylbutan-1-ol
CID 114635725
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2,2-dimethylpropan-1-ol
CID 114635694
2-[4-chloro-5-[ethylamino-(1-methylpyrazol-4-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 114654433
2-[4-chloro-5-[ethylamino(furan-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 114652413
2-[4-chloro-5-[ethylamino-(1-methylimidazol-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 114659302
2-[4-chloro-5-[(2-chlorofuran-3-yl)-(ethylamino)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 106693083
1-(4-chloro-1-ethylpyrazol-5-yl)-1-N,2-N,2-N-triethyl-2-methylbutane-1,2-diamine
CID 114656808
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-N,2-N,2-trimethylbutane-1,2-diamine
CID 114656737

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-N-ethyl-2-methoxy-2-methylpropan-1-amine?
The IUPAC name of 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-N-ethyl-2-methoxy-2-methylpropan-1-amine (CID 114657422) is 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-N-ethyl-2-methoxy-2-methylpropan-1-amine.
What is the SMILES notation for 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-N-ethyl-2-methoxy-2-methylpropan-1-amine?
The canonical SMILES for 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-N-ethyl-2-methoxy-2-methylpropan-1-amine is CCNC(c1c(Cl)cnn1CCN(C)C)C(C)(C)OC.
What is the InChIKey of 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-N-ethyl-2-methoxy-2-methylpropan-1-amine?
The InChIKey is LOCNAYPVONPNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27ClN4O/c1-7-16-13(14(2,3)20-6)12-11(15)10-17-19(12)9-8-18(4)5/h10,13,16H,7-9H2,1-6H3.
What are the key properties of 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-N-ethyl-2-methoxy-2-methylpropan-1-amine?
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-N-ethyl-2-methoxy-2-methylpropan-1-amine has a molecular weight of 302.85 g/mol, XLogP of 2.17, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-N-ethyl-2-methoxy-2-methylpropan-1-amine is sourced from PubChem (CID 114657422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).