1-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine

C20H29N5 — CID 120968586

IUPAC1-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine
SMILESCc1nn(-c2ccccc2)c(C)c1CN1CCC(N2CCNCC2)C1
InChIInChI=1S/C20H29N5/c1-16-20(17(2)25(22-16)18-6-4-3-5-7-18)15-23-11-8-19(14-23)24-12-9-21-10-13-24/h3-7,19,21H,8-15H2,1-2H3
InChIKeyMVSNCMAZPIRLJN-UHFFFAOYSA-N
MW339.49 g/mol
LogP1.97
Rot. Bonds4

About 1-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine

1-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine (PubChem CID 120968586) has the molecular formula C20H29N5 and a molecular weight of 339.49 g/mol. Its IUPAC name is 1-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine.

Molecular Properties

Compound Name1-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine
PubChem CID120968586
Molecular FormulaC20H29N5
Molecular Weight339.49 g/mol
Exact Mass339.24
IUPAC Name1-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine
SMILESCc1nn(-c2ccccc2)c(C)c1CN1CCC(N2CCNCC2)C1
InChIInChI=1S/C20H29N5/c1-16-20(17(2)25(22-16)18-6-4-3-5-7-18)15-23-11-8-19(14-23)24-12-9-21-10-13-24/h3-7,19,21H,8-15H2,1-2H3
InChIKeyMVSNCMAZPIRLJN-UHFFFAOYSA-N
XLogP1.97
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.49
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[(2-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]piperazine
CID 120967885
1-[1-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]pyrrolidin-3-yl]piperazine;hydrochloride
CID 120968413
1-[1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride
CID 120967906
1-[1-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine
CID 120967506
1-[1-[(2-methyl-3-phenylimidazol-4-yl)methyl]pyrrolidin-3-yl]piperazine
CID 120967486
1-[1-[(2-methyl-3-phenylimidazol-4-yl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride
CID 120967485
N-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methanesulfonamide
CID 75470933
1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1,4,9-triazaspiro[5.5]undecane
CID 152764880
2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane
CID 120908289
2-[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]ethanol
CID 110880028
5-(azetidin-1-yl)-2-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperidin-3-yl]pyridazin-3-one
CID 128968445
[(3R,4R)-1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine
CID 120769604

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine?
The IUPAC name of 1-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine (CID 120968586) is 1-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine.
What is the SMILES notation for 1-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine?
The canonical SMILES for 1-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine is Cc1nn(-c2ccccc2)c(C)c1CN1CCC(N2CCNCC2)C1.
What is the InChIKey of 1-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine?
The InChIKey is MVSNCMAZPIRLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5/c1-16-20(17(2)25(22-16)18-6-4-3-5-7-18)15-23-11-8-19(14-23)24-12-9-21-10-13-24/h3-7,19,21H,8-15H2,1-2H3.
What are the key properties of 1-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine?
1-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine has a molecular weight of 339.49 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine is sourced from PubChem (CID 120968586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).