4-bromo-1-[[1-(cyclopropylmethyl)pyrrolidin-3-yl]methyl]pyrazole

C12H18BrN3 — CID 165429536

IUPAC4-bromo-1-[[1-(cyclopropylmethyl)pyrrolidin-3-yl]methyl]pyrazole
SMILESBrc1cnn(CC2CCN(CC3CC3)C2)c1
InChIInChI=1S/C12H18BrN3/c13-12-5-14-16(9-12)8-11-3-4-15(7-11)6-10-1-2-10/h5,9-11H,1-4,6-8H2
InChIKeyLJZQHZNMNCWBCK-UHFFFAOYSA-N
MW284.20 g/mol
LogP2.38
Rot. Bonds4

About 4-bromo-1-[[1-(cyclopropylmethyl)pyrrolidin-3-yl]methyl]pyrazole

4-bromo-1-[[1-(cyclopropylmethyl)pyrrolidin-3-yl]methyl]pyrazole (PubChem CID 165429536) has the molecular formula C12H18BrN3 and a molecular weight of 284.20 g/mol. Its IUPAC name is 4-bromo-1-[[1-(cyclopropylmethyl)pyrrolidin-3-yl]methyl]pyrazole.

Molecular Properties

Compound Name4-bromo-1-[[1-(cyclopropylmethyl)pyrrolidin-3-yl]methyl]pyrazole
PubChem CID165429536
Molecular FormulaC12H18BrN3
Molecular Weight284.20 g/mol
Exact Mass283.07
IUPAC Name4-bromo-1-[[1-(cyclopropylmethyl)pyrrolidin-3-yl]methyl]pyrazole
SMILESBrc1cnn(CC2CCN(CC3CC3)C2)c1
InChIInChI=1S/C12H18BrN3/c13-12-5-14-16(9-12)8-11-3-4-15(7-11)6-10-1-2-10/h5,9-11H,1-4,6-8H2
InChIKeyLJZQHZNMNCWBCK-UHFFFAOYSA-N
XLogP2.38
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[2-(4-bromopyrazol-1-yl)ethyl]pyrrolidin-3-yl]methanol
CID 111442682
4-bromo-1-[(1-propan-2-ylazetidin-3-yl)methyl]pyrazole
CID 154575471
4-bromo-1-[[(3S)-pyrrolidin-3-yl]methyl]pyrazole
CID 94408772
4-bromo-1-[[(3S)-pyrrolidin-3-yl]methyl]pyrazole;hydrochloride
CID 165429520
1-(3-methylbutyl)-4-[(4-methylpyrazol-1-yl)methyl]piperidine
CID 153390633
4-bromo-1-[[1-(2-phenoxyethyl)azetidin-3-yl]methyl]pyrazole
CID 154575757
4-bromo-1-(oxiran-2-ylmethyl)pyrazole
CID 61034660
1-[(1-benzhydrylazetidin-3-yl)methyl]-4-bromopyrazole
CID 154576008
methyl 3-[(4-bromopyrazol-1-yl)methyl]azetidine-1-carboxylate
CID 178121840
4-chloro-1-[[1-(oxan-4-ylmethyl)azetidin-3-yl]methyl]pyrazole
CID 154580584
1-[(4-bromopyrazol-1-yl)methyl]piperidine
CID 130686682
(5R)-5-[(4-bromopyrazol-1-yl)methyl]pyrrolidin-2-one
CID 138553889

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[[1-(cyclopropylmethyl)pyrrolidin-3-yl]methyl]pyrazole?
The IUPAC name of 4-bromo-1-[[1-(cyclopropylmethyl)pyrrolidin-3-yl]methyl]pyrazole (CID 165429536) is 4-bromo-1-[[1-(cyclopropylmethyl)pyrrolidin-3-yl]methyl]pyrazole.
What is the SMILES notation for 4-bromo-1-[[1-(cyclopropylmethyl)pyrrolidin-3-yl]methyl]pyrazole?
The canonical SMILES for 4-bromo-1-[[1-(cyclopropylmethyl)pyrrolidin-3-yl]methyl]pyrazole is Brc1cnn(CC2CCN(CC3CC3)C2)c1.
What is the InChIKey of 4-bromo-1-[[1-(cyclopropylmethyl)pyrrolidin-3-yl]methyl]pyrazole?
The InChIKey is LJZQHZNMNCWBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3/c13-12-5-14-16(9-12)8-11-3-4-15(7-11)6-10-1-2-10/h5,9-11H,1-4,6-8H2.
What are the key properties of 4-bromo-1-[[1-(cyclopropylmethyl)pyrrolidin-3-yl]methyl]pyrazole?
4-bromo-1-[[1-(cyclopropylmethyl)pyrrolidin-3-yl]methyl]pyrazole has a molecular weight of 284.20 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[[1-(cyclopropylmethyl)pyrrolidin-3-yl]methyl]pyrazole is sourced from PubChem (CID 165429536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).