N-ethyl-1,3-dimethyl-4-[(3-methylpyrrolidin-1-yl)methyl]pyrazol-5-amine

C13H24N4 — CID 55046124

IUPACN-ethyl-1,3-dimethyl-4-[(3-methylpyrrolidin-1-yl)methyl]pyrazol-5-amine
SMILESCCNc1c(CN2CCC(C)C2)c(C)nn1C
InChIInChI=1S/C13H24N4/c1-5-14-13-12(11(3)15-16(13)4)9-17-7-6-10(2)8-17/h10,14H,5-9H2,1-4H3
InChIKeyCIBKQZCSONWKLX-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.00
Rot. Bonds4

About N-ethyl-1,3-dimethyl-4-[(3-methylpyrrolidin-1-yl)methyl]pyrazol-5-amine

N-ethyl-1,3-dimethyl-4-[(3-methylpyrrolidin-1-yl)methyl]pyrazol-5-amine (PubChem CID 55046124) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N-ethyl-1,3-dimethyl-4-[(3-methylpyrrolidin-1-yl)methyl]pyrazol-5-amine.

Molecular Properties

Compound NameN-ethyl-1,3-dimethyl-4-[(3-methylpyrrolidin-1-yl)methyl]pyrazol-5-amine
PubChem CID55046124
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN-ethyl-1,3-dimethyl-4-[(3-methylpyrrolidin-1-yl)methyl]pyrazol-5-amine
SMILESCCNc1c(CN2CCC(C)C2)c(C)nn1C
InChIInChI=1S/C13H24N4/c1-5-14-13-12(11(3)15-16(13)4)9-17-7-6-10(2)8-17/h10,14H,5-9H2,1-4H3
InChIKeyCIBKQZCSONWKLX-UHFFFAOYSA-N
XLogP2.00
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-1,3-dimethyl-4-[(3-methylpyrrolidin-1-yl)methyl]pyrazole
CID 61224422
4-[(2,3-dimethylpiperidin-1-yl)methyl]-N-ethyl-1,3-dimethylpyrazol-5-amine
CID 55046555
N-ethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine
CID 79238263
[5-(ethylamino)-1,3-dimethylpyrazol-4-yl]methanol
CID 62194679
(3S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-ol
CID 111123110
1-[[5-(ethylamino)-1,3-dimethylpyrazol-4-yl]methyl]pyridin-2-one
CID 62208668
5-chloro-4-[(3-ethylpyrrolidin-1-yl)methyl]-1,3-dimethylpyrazole
CID 115688533
[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-methylpiperidin-3-yl]methanamine
CID 114961330
4-chloro-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-methylpiperidine
CID 114682232
4-(butoxymethyl)-N-ethyl-1,3-dimethylpyrazol-5-amine
CID 62195554
N-ethyl-2-[(3-methylpyrrolidin-1-yl)methyl]pyridin-4-amine
CID 79245667
N-ethyl-1,3-dimethyl-4-(propan-2-yloxymethyl)pyrazol-5-amine
CID 62194625

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,3-dimethyl-4-[(3-methylpyrrolidin-1-yl)methyl]pyrazol-5-amine?
The IUPAC name of N-ethyl-1,3-dimethyl-4-[(3-methylpyrrolidin-1-yl)methyl]pyrazol-5-amine (CID 55046124) is N-ethyl-1,3-dimethyl-4-[(3-methylpyrrolidin-1-yl)methyl]pyrazol-5-amine.
What is the SMILES notation for N-ethyl-1,3-dimethyl-4-[(3-methylpyrrolidin-1-yl)methyl]pyrazol-5-amine?
The canonical SMILES for N-ethyl-1,3-dimethyl-4-[(3-methylpyrrolidin-1-yl)methyl]pyrazol-5-amine is CCNc1c(CN2CCC(C)C2)c(C)nn1C.
What is the InChIKey of N-ethyl-1,3-dimethyl-4-[(3-methylpyrrolidin-1-yl)methyl]pyrazol-5-amine?
The InChIKey is CIBKQZCSONWKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-5-14-13-12(11(3)15-16(13)4)9-17-7-6-10(2)8-17/h10,14H,5-9H2,1-4H3.
What are the key properties of N-ethyl-1,3-dimethyl-4-[(3-methylpyrrolidin-1-yl)methyl]pyrazol-5-amine?
N-ethyl-1,3-dimethyl-4-[(3-methylpyrrolidin-1-yl)methyl]pyrazol-5-amine has a molecular weight of 236.36 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,3-dimethyl-4-[(3-methylpyrrolidin-1-yl)methyl]pyrazol-5-amine is sourced from PubChem (CID 55046124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).