4-methyl-1-[1-[2-(4-methylpyrazol-1-yl)ethyl]pyrrolidin-3-yl]pyrazole

C14H21N5 — CID 126947449

IUPAC4-methyl-1-[1-[2-(4-methylpyrazol-1-yl)ethyl]pyrrolidin-3-yl]pyrazole
SMILESCc1cnn(CCN2CCC(n3cc(C)cn3)C2)c1
InChIInChI=1S/C14H21N5/c1-12-7-15-18(9-12)6-5-17-4-3-14(11-17)19-10-13(2)8-16-19/h7-10,14H,3-6,11H2,1-2H3
InChIKeyVDHZIDODNYNZRN-UHFFFAOYSA-N
MW259.36 g/mol
LogP1.64
Rot. Bonds4

About 4-methyl-1-[1-[2-(4-methylpyrazol-1-yl)ethyl]pyrrolidin-3-yl]pyrazole

4-methyl-1-[1-[2-(4-methylpyrazol-1-yl)ethyl]pyrrolidin-3-yl]pyrazole (PubChem CID 126947449) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 4-methyl-1-[1-[2-(4-methylpyrazol-1-yl)ethyl]pyrrolidin-3-yl]pyrazole.

Molecular Properties

Compound Name4-methyl-1-[1-[2-(4-methylpyrazol-1-yl)ethyl]pyrrolidin-3-yl]pyrazole
PubChem CID126947449
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name4-methyl-1-[1-[2-(4-methylpyrazol-1-yl)ethyl]pyrrolidin-3-yl]pyrazole
SMILESCc1cnn(CCN2CCC(n3cc(C)cn3)C2)c1
InChIInChI=1S/C14H21N5/c1-12-7-15-18(9-12)6-5-17-4-3-14(11-17)19-10-13(2)8-16-19/h7-10,14H,3-6,11H2,1-2H3
InChIKeyVDHZIDODNYNZRN-UHFFFAOYSA-N
XLogP1.64
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]ethyl]azepane
CID 126947336
4-[2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]ethyl]morpholine
CID 126947279
1-[2-(3-chloropyrrolidin-1-yl)ethyl]-4-methylpyrazole
CID 130516358
4-methyl-1-(1-methylpyrrolidin-3-yl)pyrazole
CID 70661033
1-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-4-methylpyrazole
CID 126947287
1-cyclopentyl-4-[2-(4-methylpyrazol-1-yl)ethyl]piperazine
CID 171701763
5-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]pentan-1-amine
CID 155741023
3-(4-methylpyrazol-1-yl)-1-[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one
CID 95289673
2-methyl-4-[[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]methyl]pyridazin-3-one
CID 126947361
1-(8-methylnonyl)-3-(4-methylpyrazol-1-yl)piperidine
CID 155404629
5-cyclopropyl-3-[[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]methyl]-1,2-oxazole
CID 126947443
1-(1-cyclopentylpyrrolidin-3-yl)-4-methylpyrazole
CID 126947275

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[1-[2-(4-methylpyrazol-1-yl)ethyl]pyrrolidin-3-yl]pyrazole?
The IUPAC name of 4-methyl-1-[1-[2-(4-methylpyrazol-1-yl)ethyl]pyrrolidin-3-yl]pyrazole (CID 126947449) is 4-methyl-1-[1-[2-(4-methylpyrazol-1-yl)ethyl]pyrrolidin-3-yl]pyrazole.
What is the SMILES notation for 4-methyl-1-[1-[2-(4-methylpyrazol-1-yl)ethyl]pyrrolidin-3-yl]pyrazole?
The canonical SMILES for 4-methyl-1-[1-[2-(4-methylpyrazol-1-yl)ethyl]pyrrolidin-3-yl]pyrazole is Cc1cnn(CCN2CCC(n3cc(C)cn3)C2)c1.
What is the InChIKey of 4-methyl-1-[1-[2-(4-methylpyrazol-1-yl)ethyl]pyrrolidin-3-yl]pyrazole?
The InChIKey is VDHZIDODNYNZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-12-7-15-18(9-12)6-5-17-4-3-14(11-17)19-10-13(2)8-16-19/h7-10,14H,3-6,11H2,1-2H3.
What are the key properties of 4-methyl-1-[1-[2-(4-methylpyrazol-1-yl)ethyl]pyrrolidin-3-yl]pyrazole?
4-methyl-1-[1-[2-(4-methylpyrazol-1-yl)ethyl]pyrrolidin-3-yl]pyrazole has a molecular weight of 259.36 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[1-[2-(4-methylpyrazol-1-yl)ethyl]pyrrolidin-3-yl]pyrazole is sourced from PubChem (CID 126947449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).