1-(4-chloro-1-methylpyrazol-5-yl)-N',N'-diethylpropane-1,3-diamine

C11H21ClN4 — CID 114657125

IUPAC1-(4-chloro-1-methylpyrazol-5-yl)-N',N'-diethylpropane-1,3-diamine
SMILESCCN(CC)CCC(N)c1c(Cl)cnn1C
InChIInChI=1S/C11H21ClN4/c1-4-16(5-2)7-6-10(13)11-9(12)8-14-15(11)3/h8,10H,4-7,13H2,1-3H3
InChIKeyCCNALVYVWNWNPM-UHFFFAOYSA-N
MW244.77 g/mol
LogP1.81
Rot. Bonds6

About 1-(4-chloro-1-methylpyrazol-5-yl)-N',N'-diethylpropane-1,3-diamine

1-(4-chloro-1-methylpyrazol-5-yl)-N',N'-diethylpropane-1,3-diamine (PubChem CID 114657125) has the molecular formula C11H21ClN4 and a molecular weight of 244.77 g/mol. Its IUPAC name is 1-(4-chloro-1-methylpyrazol-5-yl)-N',N'-diethylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(4-chloro-1-methylpyrazol-5-yl)-N',N'-diethylpropane-1,3-diamine
PubChem CID114657125
Molecular FormulaC11H21ClN4
Molecular Weight244.77 g/mol
Exact Mass244.15
IUPAC Name1-(4-chloro-1-methylpyrazol-5-yl)-N',N'-diethylpropane-1,3-diamine
SMILESCCN(CC)CCC(N)c1c(Cl)cnn1C
InChIInChI=1S/C11H21ClN4/c1-4-16(5-2)7-6-10(13)11-9(12)8-14-15(11)3/h8,10H,4-7,13H2,1-3H3
InChIKeyCCNALVYVWNWNPM-UHFFFAOYSA-N
XLogP1.81
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.77
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-1-methylpyrazol-5-yl)-2-ethylsulfanylethanamine
CID 114653440
(3R)-3-amino-3-(4-chloro-1-methylpyrazol-5-yl)propanamide
CID 130936273
1-(4-chloro-1-propylpyrazol-5-yl)-3-(diethylamino)propan-1-ol
CID 114644612
1-(4-chloro-1-ethylpyrazol-5-yl)-3-(diethylamino)propan-1-ol
CID 114644600
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]hexan-1-amine
CID 105039116
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N',N'-diethylpropane-1,3-diamine
CID 114657126
1-(4-bromo-1-methylpyrazol-5-yl)-N',N'-dimethylpropane-1,3-diamine
CID 114659465
1-(4-chloro-1-ethylpyrazol-5-yl)-4-methylpentan-1-amine
CID 114648699
1-(4-chloro-1-methylpyrazol-5-yl)-2-ethoxy-3-methylbutan-1-amine
CID 114661238
1-(4-chloro-1-propylpyrazol-5-yl)decan-1-amine
CID 105042639
2-(4-chloro-1-methylpyrazol-5-yl)propan-1-amine
CID 83827347
N,N-diethyl-3-hydrazinyl-3-(4-methoxy-1-methylpyrazol-5-yl)propan-1-amine
CID 105244142

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-N',N'-diethylpropane-1,3-diamine?
The IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-N',N'-diethylpropane-1,3-diamine (CID 114657125) is 1-(4-chloro-1-methylpyrazol-5-yl)-N',N'-diethylpropane-1,3-diamine.
What is the SMILES notation for 1-(4-chloro-1-methylpyrazol-5-yl)-N',N'-diethylpropane-1,3-diamine?
The canonical SMILES for 1-(4-chloro-1-methylpyrazol-5-yl)-N',N'-diethylpropane-1,3-diamine is CCN(CC)CCC(N)c1c(Cl)cnn1C.
What is the InChIKey of 1-(4-chloro-1-methylpyrazol-5-yl)-N',N'-diethylpropane-1,3-diamine?
The InChIKey is CCNALVYVWNWNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21ClN4/c1-4-16(5-2)7-6-10(13)11-9(12)8-14-15(11)3/h8,10H,4-7,13H2,1-3H3.
What are the key properties of 1-(4-chloro-1-methylpyrazol-5-yl)-N',N'-diethylpropane-1,3-diamine?
1-(4-chloro-1-methylpyrazol-5-yl)-N',N'-diethylpropane-1,3-diamine has a molecular weight of 244.77 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-methylpyrazol-5-yl)-N',N'-diethylpropane-1,3-diamine is sourced from PubChem (CID 114657125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).